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/2liv-17c0d6da/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2liv-17c0d6da/inputs/seq.fa: 1
curr_seq: _GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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/2liv-17c0d6da/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2liv-17c0d6da/inputs/seq.fa: 1
curr_seq: _GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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/2liv-17c0d6da/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2liv-17c0d6da/inputs/seq.fa: 1
curr_seq: _GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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/2liv-17c0d6da/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2liv-17c0d6da/inputs/seq.fa: 1
curr_seq: _GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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/2liv-17c0d6da/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2liv-17c0d6da/inputs/seq.fa: 1
curr_seq: _GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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/2liv-17c0d6da/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2liv-17c0d6da/inputs/seq.fa: 1
curr_seq: _GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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/2liv-17c0d6da/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2liv-17c0d6da/inputs/seq.fa: 1
curr_seq: _GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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/2liv-17c0d6da/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2liv-17c0d6da/inputs/seq.fa: 1
curr_seq: _GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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/2liv-17c0d6da/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2liv-17c0d6da/inputs/seq.fa: 1
curr_seq: _GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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/2liv-17c0d6da/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2liv-17c0d6da/inputs/seq.fa: 1
curr_seq: _GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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: -136.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.408719 (E_RNA)
where:
Base-Base interactions energy: -2.841
where: short stacking energy: -2.841
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -136.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.408719 (E_RNA)
where:
Base-Base interactions energy: -2.841
where: short stacking energy: -2.841
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -136.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.408719 (E_RNA)
where:
Base-Base interactions energy: -2.841
where: short stacking energy: -2.841
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -136.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.408719 (E_RNA)
where:
Base-Base interactions energy: -2.841
where: short stacking energy: -2.841
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -136.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.408719 (E_RNA)
where:
Base-Base interactions energy: -2.841
where: short stacking energy: -2.841
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -136.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.408719 (E_RNA)
where:
Base-Base interactions energy: -2.841
where: short stacking energy: -2.841
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -136.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.408719 (E_RNA)
where:
Base-Base interactions energy: -2.841
where: short stacking energy: -2.841
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -136.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.408719 (E_RNA)
where:
Base-Base interactions energy: -2.841
where: short stacking energy: -2.841
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -136.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.408719 (E_RNA)
where:
Base-Base interactions energy: -2.841
where: short stacking energy: -2.841
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -136.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.408719 (E_RNA)
where:
Base-Base interactions energy: -2.841
where: short stacking energy: -2.841
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -205.411956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.411956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.411956 (E_RNA)
where:
Base-Base interactions energy: -93.319
where: short stacking energy: -83.364
Base-Backbone interact. energy: -0.074
local terms energy: -112.019290
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -17.046
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -192.381915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.381915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.381915 (E_RNA)
where:
Base-Base interactions energy: -81.430
where: short stacking energy: -81.258
Base-Backbone interact. energy: -0.023
local terms energy: -110.929788
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -182.571037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.571037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.571037 (E_RNA)
where:
Base-Base interactions energy: -78.556
where: short stacking energy: -78.556
Base-Backbone interact. energy: -0.011
local terms energy: -104.003775
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -16.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -160.145452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.145452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.145452 (E_RNA)
where:
Base-Base interactions energy: -59.724
where: short stacking energy: -59.621
Base-Backbone interact. energy: -0.008
local terms energy: -100.413103
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -192.585571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.585571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.585571 (E_RNA)
where:
Base-Base interactions energy: -95.265
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.921
local terms energy: -96.399769
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -12.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -185.668778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.668778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.668778 (E_RNA)
where:
Base-Base interactions energy: -102.296
where: short stacking energy: -57.336
Base-Backbone interact. energy: -0.407
local terms energy: -82.966472
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -141.942868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.942868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.942868 (E_RNA)
where:
Base-Base interactions energy: -54.476
where: short stacking energy: -33.980
Base-Backbone interact. energy: 0.477
local terms energy: -87.943866
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -27.164
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -139.234218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.234218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.234218 (E_RNA)
where:
Base-Base interactions energy: -44.431
where: short stacking energy: -44.431
Base-Backbone interact. energy: -0.001
local terms energy: -94.801528
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -27.302
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -139.880086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.880086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.880086 (E_RNA)
where:
Base-Base interactions energy: -71.340
where: short stacking energy: -41.911
Base-Backbone interact. energy: -0.465
local terms energy: -68.074729
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -4.919
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -135.400534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.400534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.400534 (E_RNA)
where:
Base-Base interactions energy: -2.312
where: short stacking energy: -2.312
Base-Backbone interact. energy: -0.000
local terms energy: -133.088238
where:
bonds (distance) C4'-P energy: -34.861
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -30.114
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -204.205859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.205859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.205859 (E_RNA)
where:
Base-Base interactions energy: -98.139
where: short stacking energy: -77.174
Base-Backbone interact. energy: 1.810
local terms energy: -107.876851
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -25.566
flat angles P-C4'-P energy: -14.737
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -216.049878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.049878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.049878 (E_RNA)
where:
Base-Base interactions energy: -102.674
where: short stacking energy: -81.504
Base-Backbone interact. energy: -0.141
local terms energy: -113.234863
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -225.318023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.318023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.318023 (E_RNA)
where:
Base-Base interactions energy: -119.535
where: short stacking energy: -64.088
Base-Backbone interact. energy: -0.062
local terms energy: -105.720841
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -22.069
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -213.368332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.368332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.368332 (E_RNA)
where:
Base-Base interactions energy: -113.136
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.140
local terms energy: -100.091950
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -24.703
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -16.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -195.146368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.146368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.146368 (E_RNA)
where:
Base-Base interactions energy: -93.726
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.160
local terms energy: -101.259821
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -23.016
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -155.087563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.087563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.087563 (E_RNA)
where:
Base-Base interactions energy: -71.955
where: short stacking energy: -38.007
Base-Backbone interact. energy: -1.341
local terms energy: -81.790995
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -1.202
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -184.361808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.361808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.361808 (E_RNA)
where:
Base-Base interactions energy: -109.246
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.546
local terms energy: -74.569773
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -160.197745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.197745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.197745 (E_RNA)
where:
Base-Base interactions energy: -78.635
where: short stacking energy: -28.666
Base-Backbone interact. energy: -0.419
local terms energy: -81.144056
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -27.650
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: 1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -158.667370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.667370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.667370 (E_RNA)
where:
Base-Base interactions energy: -84.392
where: short stacking energy: -46.805
Base-Backbone interact. energy: -0.298
local terms energy: -73.978174
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: 1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -109.075501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.075501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.075501 (E_RNA)
where:
Base-Base interactions energy: -35.037
where: short stacking energy: -33.976
Base-Backbone interact. energy: -0.028
local terms energy: -74.010812
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: 0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -241.360393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.360393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.360393 (E_RNA)
where:
Base-Base interactions energy: -128.767
where: short stacking energy: -84.638
Base-Backbone interact. energy: -1.196
local terms energy: -111.397542
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -14.285
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -219.341576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.341576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341576 (E_RNA)
where:
Base-Base interactions energy: -105.458
where: short stacking energy: -97.095
Base-Backbone interact. energy: -0.924
local terms energy: -112.959950
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -26.628
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -24.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -277.830118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.830118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.830118 (E_RNA)
where:
Base-Base interactions energy: -173.570
where: short stacking energy: -83.765
Base-Backbone interact. energy: -0.817
local terms energy: -103.442667
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -29.552
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -221.216770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.216770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.216770 (E_RNA)
where:
Base-Base interactions energy: -117.482
where: short stacking energy: -86.993
Base-Backbone interact. energy: -1.427
local terms energy: -102.307907
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -22.012
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: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -145.753566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.753566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.753566 (E_RNA)
where:
Base-Base interactions energy: -62.229
where: short stacking energy: -41.599
Base-Backbone interact. energy: -0.458
local terms energy: -83.067101
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -24.525
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -188.927954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.927954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.927954 (E_RNA)
where:
Base-Base interactions energy: -97.685
where: short stacking energy: -55.035
Base-Backbone interact. energy: -0.250
local terms energy: -90.992147
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -230.878024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.878024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.878024 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -63.638
Base-Backbone interact. energy: 0.644
local terms energy: -94.495427
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -206.113537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.113537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.113537 (E_RNA)
where:
Base-Base interactions energy: -118.284
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.789
local terms energy: -87.040641
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -122.787260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.787260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.787260 (E_RNA)
where:
Base-Base interactions energy: -44.295
where: short stacking energy: -28.047
Base-Backbone interact. energy: -0.270
local terms energy: -78.222106
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -115.279275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.279275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.279275 (E_RNA)
where:
Base-Base interactions energy: -40.035
where: short stacking energy: -38.704
Base-Backbone interact. energy: -0.336
local terms energy: -74.908809
where:
bonds (distance) C4'-P energy: -29.028
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -272.189906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.189906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.189906 (E_RNA)
where:
Base-Base interactions energy: -160.994
where: short stacking energy: -83.225
Base-Backbone interact. energy: -0.180
local terms energy: -111.016808
where:
bonds (distance) C4'-P energy: -22.602
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -26.594
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -272.703141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.703141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.703141 (E_RNA)
where:
Base-Base interactions energy: -163.973
where: short stacking energy: -76.295
Base-Backbone interact. energy: -0.198
local terms energy: -108.531844
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -222.406468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.406468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.406468 (E_RNA)
where:
Base-Base interactions energy: -112.848
where: short stacking energy: -68.907
Base-Backbone interact. energy: -0.232
local terms energy: -109.326692
where:
bonds (distance) C4'-P energy: -26.165
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -195.712569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.712569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.712569 (E_RNA)
where:
Base-Base interactions energy: -97.526
where: short stacking energy: -53.026
Base-Backbone interact. energy: -1.349
local terms energy: -96.838130
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -26.766
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -156.745885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.745885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.745885 (E_RNA)
where:
Base-Base interactions energy: -66.947
where: short stacking energy: -42.642
Base-Backbone interact. energy: 0.308
local terms energy: -90.106458
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -29.489
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -8.775
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: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -225.033254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.033254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.033254 (E_RNA)
where:
Base-Base interactions energy: -128.675
where: short stacking energy: -56.417
Base-Backbone interact. energy: -0.308
local terms energy: -96.050036
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -144.449814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.449814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.449814 (E_RNA)
where:
Base-Base interactions energy: -55.153
where: short stacking energy: -50.970
Base-Backbone interact. energy: 0.169
local terms energy: -89.465939
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -12.312
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -123.759145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.759145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.759145 (E_RNA)
where:
Base-Base interactions energy: -47.659
where: short stacking energy: -44.778
Base-Backbone interact. energy: -0.180
local terms energy: -75.919900
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -183.075245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.075245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.075245 (E_RNA)
where:
Base-Base interactions energy: -106.372
where: short stacking energy: -52.054
Base-Backbone interact. energy: 0.421
local terms energy: -77.124288
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -12.872
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: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -123.409173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.409173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.409173 (E_RNA)
where:
Base-Base interactions energy: -45.083
where: short stacking energy: -41.902
Base-Backbone interact. energy: 0.245
local terms energy: -78.570632
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -277.113790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.113790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.113790 (E_RNA)
where:
Base-Base interactions energy: -170.765
where: short stacking energy: -74.989
Base-Backbone interact. energy: -0.043
local terms energy: -106.306039
where:
bonds (distance) C4'-P energy: -25.942
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -9.106
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -246.552930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.552930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.552930 (E_RNA)
where:
Base-Base interactions energy: -135.425
where: short stacking energy: -75.044
Base-Backbone interact. energy: -0.373
local terms energy: -110.755379
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -21.493
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: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -244.221894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.221894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.221894 (E_RNA)
where:
Base-Base interactions energy: -136.077
where: short stacking energy: -87.552
Base-Backbone interact. energy: -0.431
local terms energy: -107.713951
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -25.274
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -228.246215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.246215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.246215 (E_RNA)
where:
Base-Base interactions energy: -130.029
where: short stacking energy: -96.555
Base-Backbone interact. energy: 0.014
local terms energy: -98.231384
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -26.020
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: 6
Temperature: 1.100000
Total energy: -263.820636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.820636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.820636 (E_RNA)
where:
Base-Base interactions energy: -168.018
where: short stacking energy: -74.879
Base-Backbone interact. energy: -0.440
local terms energy: -95.362584
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -148.709858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.709858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.709858 (E_RNA)
where:
Base-Base interactions energy: -58.308
where: short stacking energy: -57.344
Base-Backbone interact. energy: -0.172
local terms energy: -90.229170
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -15.884
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -139.313292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.313292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.313292 (E_RNA)
where:
Base-Base interactions energy: -50.415
where: short stacking energy: -42.573
Base-Backbone interact. energy: 0.877
local terms energy: -89.775179
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -135.113783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.113783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.113783 (E_RNA)
where:
Base-Base interactions energy: -54.533
where: short stacking energy: -36.957
Base-Backbone interact. energy: -0.235
local terms energy: -80.345680
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -23.469
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: 2.469
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: 7
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -200.222683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.222683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.222683 (E_RNA)
where:
Base-Base interactions energy: -117.955
where: short stacking energy: -46.727
Base-Backbone interact. energy: -0.153
local terms energy: -82.114593
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -12.221
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: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -120.589597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.589597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.589597 (E_RNA)
where:
Base-Base interactions energy: -49.101
where: short stacking energy: -33.613
Base-Backbone interact. energy: -1.221
local terms energy: -70.267840
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -14.919
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: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -312.779174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.779174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.779174 (E_RNA)
where:
Base-Base interactions energy: -197.910
where: short stacking energy: -87.700
Base-Backbone interact. energy: -0.283
local terms energy: -114.586289
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -257.127957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.127957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.127957 (E_RNA)
where:
Base-Base interactions energy: -153.641
where: short stacking energy: -69.818
Base-Backbone interact. energy: -0.690
local terms energy: -102.796881
where:
bonds (distance) C4'-P energy: -25.178
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -20.548
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -253.335051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.335051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.335051 (E_RNA)
where:
Base-Base interactions energy: -156.025
where: short stacking energy: -73.926
Base-Backbone interact. energy: -0.725
local terms energy: -96.584403
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -11.382
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: 4, replica: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -277.012954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.012954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.012954 (E_RNA)
where:
Base-Base interactions energy: -167.412
where: short stacking energy: -82.089
Base-Backbone interact. energy: -0.354
local terms energy: -109.247413
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -24.298
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: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -208.364523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.364523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.364523 (E_RNA)
where:
Base-Base interactions energy: -108.087
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.613
local terms energy: -99.664820
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -24.569
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -22.755
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: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -149.189986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.189986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.189986 (E_RNA)
where:
Base-Base interactions energy: -51.588
where: short stacking energy: -45.176
Base-Backbone interact. energy: -0.113
local terms energy: -97.488584
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -27.711
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -15.035
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: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -120.423583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.423583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.423583 (E_RNA)
where:
Base-Base interactions energy: -44.865
where: short stacking energy: -44.683
Base-Backbone interact. energy: -0.098
local terms energy: -75.460707
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -239.274163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.274163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.274163 (E_RNA)
where:
Base-Base interactions energy: -153.126
where: short stacking energy: -61.713
Base-Backbone interact. energy: -0.719
local terms energy: -85.428747
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -18.026
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: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -127.784000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.784000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.784000 (E_RNA)
where:
Base-Base interactions energy: -49.123
where: short stacking energy: -46.075
Base-Backbone interact. energy: 0.140
local terms energy: -78.800932
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -112.686664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.686664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.686664 (E_RNA)
where:
Base-Base interactions energy: -43.684
where: short stacking energy: -43.605
Base-Backbone interact. energy: -1.082
local terms energy: -67.920676
where:
bonds (distance) C4'-P energy: -28.278
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -308.897110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.897110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.897110 (E_RNA)
where:
Base-Base interactions energy: -205.757
where: short stacking energy: -95.092
Base-Backbone interact. energy: -0.133
local terms energy: -103.006761
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -21.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -264.120470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.120470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.120470 (E_RNA)
where:
Base-Base interactions energy: -155.292
where: short stacking energy: -82.616
Base-Backbone interact. energy: -0.763
local terms energy: -108.065132
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -299.617979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.617979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.617979 (E_RNA)
where:
Base-Base interactions energy: -196.539
where: short stacking energy: -78.427
Base-Backbone interact. energy: -0.333
local terms energy: -102.746463
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -257.923750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.923750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.923750 (E_RNA)
where:
Base-Base interactions energy: -154.218
where: short stacking energy: -63.665
Base-Backbone interact. energy: -0.814
local terms energy: -102.891657
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -12.893
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: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -202.983223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.983223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.983223 (E_RNA)
where:
Base-Base interactions energy: -107.434
where: short stacking energy: -59.082
Base-Backbone interact. energy: 0.332
local terms energy: -95.880858
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -17.883
tors. eta vs tors. theta energy: -12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -147.910867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.910867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.910867 (E_RNA)
where:
Base-Base interactions energy: -62.138
where: short stacking energy: -42.433
Base-Backbone interact. energy: -0.412
local terms energy: -85.360049
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -3.413
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: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -256.150614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.150614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.150614 (E_RNA)
where:
Base-Base interactions energy: -157.884
where: short stacking energy: -69.553
Base-Backbone interact. energy: -0.992
local terms energy: -97.274635
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -25.088
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -120.814043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.814043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.814043 (E_RNA)
where:
Base-Base interactions energy: -47.850
where: short stacking energy: -33.688
Base-Backbone interact. energy: -0.263
local terms energy: -72.701844
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -4.434
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: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -121.249544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.249544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.249544 (E_RNA)
where:
Base-Base interactions energy: -40.331
where: short stacking energy: -35.134
Base-Backbone interact. energy: -0.292
local terms energy: -80.626480
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -25.172
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -13.817
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: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -122.962370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.962370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.962370 (E_RNA)
where:
Base-Base interactions energy: -45.413
where: short stacking energy: -33.010
Base-Backbone interact. energy: -0.518
local terms energy: -77.031445
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -10.157
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: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -314.356348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.356348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.356348 (E_RNA)
where:
Base-Base interactions energy: -208.043
where: short stacking energy: -82.351
Base-Backbone interact. energy: -0.083
local terms energy: -106.229444
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -26.310
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -13.480
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: 8
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -306.862039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.862039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.862039 (E_RNA)
where:
Base-Base interactions energy: -192.499
where: short stacking energy: -87.206
Base-Backbone interact. energy: -0.098
local terms energy: -114.265037
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -254.000627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.000627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.000627 (E_RNA)
where:
Base-Base interactions energy: -156.975
where: short stacking energy: -76.978
Base-Backbone interact. energy: -0.627
local terms energy: -96.398695
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -15.119
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: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -258.914267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.914267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.914267 (E_RNA)
where:
Base-Base interactions energy: -161.031
where: short stacking energy: -93.744
Base-Backbone interact. energy: -0.488
local terms energy: -97.395516
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -25.160
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -249.730466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.730466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.730466 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -75.788
Base-Backbone interact. energy: -0.096
local terms energy: -105.322494
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -26.473
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -15.691
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: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -313.781082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.781082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.781082 (E_RNA)
where:
Base-Base interactions energy: -202.238
where: short stacking energy: -97.650
Base-Backbone interact. energy: 1.026
local terms energy: -112.569568
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -168.319868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.319868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.319868 (E_RNA)
where:
Base-Base interactions energy: -95.209
where: short stacking energy: -62.014
Base-Backbone interact. energy: -0.205
local terms energy: -72.905808
where:
bonds (distance) C4'-P energy: -24.193
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: 0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -151.728091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.728091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.728091 (E_RNA)
where:
Base-Base interactions energy: -53.695
where: short stacking energy: -44.662
Base-Backbone interact. energy: -0.210
local terms energy: -97.822843
where:
bonds (distance) C4'-P energy: -26.324
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -12.385
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: 9
Temperature: 1.300000
Total energy: -114.724878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.724878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.724878 (E_RNA)
where:
Base-Base interactions energy: -42.763
where: short stacking energy: -32.466
Base-Backbone interact. energy: 0.034
local terms energy: -71.996379
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: 1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -112.603130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.603130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.603130 (E_RNA)
where:
Base-Base interactions energy: -40.880
where: short stacking energy: -37.221
Base-Backbone interact. energy: -0.020
local terms energy: -71.702714
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -9.175
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: 1, replica: 8
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -328.362270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.362270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.362270 (E_RNA)
where:
Base-Base interactions energy: -204.018
where: short stacking energy: -95.558
Base-Backbone interact. energy: -0.074
local terms energy: -124.270348
where:
bonds (distance) C4'-P energy: -25.329
bonds (distance) P-C4' energy: -25.965
flat angles C4'-P-C4' energy: -25.960
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -26.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -294.986136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.986136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.986136 (E_RNA)
where:
Base-Base interactions energy: -197.866
where: short stacking energy: -77.684
Base-Backbone interact. energy: -0.405
local terms energy: -96.715458
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -27.620
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -275.334004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.334004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.334004 (E_RNA)
where:
Base-Base interactions energy: -173.964
where: short stacking energy: -83.894
Base-Backbone interact. energy: -0.129
local terms energy: -101.240700
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -242.685457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.685457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.685457 (E_RNA)
where:
Base-Base interactions energy: -143.931
where: short stacking energy: -60.803
Base-Backbone interact. energy: -0.891
local terms energy: -97.862650
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -28.478
flat angles C4'-P-C4' energy: -22.880
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -284.704780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.704780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.704780 (E_RNA)
where:
Base-Base interactions energy: -171.350
where: short stacking energy: -76.413
Base-Backbone interact. energy: -0.682
local terms energy: -112.673345
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -227.575401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.575401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.575401 (E_RNA)
where:
Base-Base interactions energy: -134.212
where: short stacking energy: -66.204
Base-Backbone interact. energy: 2.196
local terms energy: -95.559288
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -27.767
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -11.418
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: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -136.707886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.707886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.707886 (E_RNA)
where:
Base-Base interactions energy: -61.429
where: short stacking energy: -42.616
Base-Backbone interact. energy: 0.455
local terms energy: -75.734460
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: 0.842
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: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -158.759887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.759887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.759887 (E_RNA)
where:
Base-Base interactions energy: -81.251
where: short stacking energy: -41.546
Base-Backbone interact. energy: -0.375
local terms energy: -77.133613
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -13.718
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: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -125.331188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.331188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.331188 (E_RNA)
where:
Base-Base interactions energy: -43.873
where: short stacking energy: -38.760
Base-Backbone interact. energy: 0.265
local terms energy: -81.723049
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -107.746614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.746614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.746614 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -27.611
Base-Backbone interact. energy: -0.164
local terms energy: -70.573969
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -25.794
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: 0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -335.386040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.386040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.386040 (E_RNA)
where:
Base-Base interactions energy: -215.230
where: short stacking energy: -98.953
Base-Backbone interact. energy: -0.126
local terms energy: -120.029761
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -27.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -301.203287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.203287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.203287 (E_RNA)
where:
Base-Base interactions energy: -200.017
where: short stacking energy: -92.081
Base-Backbone interact. energy: -0.331
local terms energy: -100.855207
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -19.901
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -296.635369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.635369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.635369 (E_RNA)
where:
Base-Base interactions energy: -187.593
where: short stacking energy: -83.946
Base-Backbone interact. energy: -0.482
local terms energy: -108.559525
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -23.730
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: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -296.225077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.225077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.225077 (E_RNA)
where:
Base-Base interactions energy: -188.261
where: short stacking energy: -86.530
Base-Backbone interact. energy: -0.276
local terms energy: -107.688428
where:
bonds (distance) C4'-P energy: -25.925
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -182.691991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.691991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.691991 (E_RNA)
where:
Base-Base interactions energy: -87.860
where: short stacking energy: -58.828
Base-Backbone interact. energy: -0.782
local terms energy: -94.049758
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -24.378
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -202.336071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.336071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.336071 (E_RNA)
where:
Base-Base interactions energy: -111.707
where: short stacking energy: -56.997
Base-Backbone interact. energy: -0.810
local terms energy: -89.818870
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -137.379818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.379818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.379818 (E_RNA)
where:
Base-Base interactions energy: -52.677
where: short stacking energy: -47.462
Base-Backbone interact. energy: -0.790
local terms energy: -83.913268
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -29.812
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -128.146540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.146540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.146540 (E_RNA)
where:
Base-Base interactions energy: -49.524
where: short stacking energy: -38.108
Base-Backbone interact. energy: 1.257
local terms energy: -79.879628
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -132.031096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.031096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.031096 (E_RNA)
where:
Base-Base interactions energy: -49.968
where: short stacking energy: -24.919
Base-Backbone interact. energy: -0.334
local terms energy: -81.728947
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -24.988
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -124.224195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.224195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.224195 (E_RNA)
where:
Base-Base interactions energy: -36.449
where: short stacking energy: -35.823
Base-Backbone interact. energy: 0.679
local terms energy: -88.454416
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -332.672094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.672094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.672094 (E_RNA)
where:
Base-Base interactions energy: -205.005
where: short stacking energy: -91.817
Base-Backbone interact. energy: -0.427
local terms energy: -127.239352
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -20.972
tors. eta vs tors. theta energy: -30.951
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: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -286.910415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.910415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.910415 (E_RNA)
where:
Base-Base interactions energy: -186.977
where: short stacking energy: -80.625
Base-Backbone interact. energy: 0.529
local terms energy: -100.462113
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -320.623843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.623843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.623843 (E_RNA)
where:
Base-Base interactions energy: -218.466
where: short stacking energy: -99.815
Base-Backbone interact. energy: -0.285
local terms energy: -101.873083
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -271.291088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.291088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.291088 (E_RNA)
where:
Base-Base interactions energy: -165.213
where: short stacking energy: -84.414
Base-Backbone interact. energy: -0.090
local terms energy: -105.987849
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -23.756
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: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -203.956340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.956340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.956340 (E_RNA)
where:
Base-Base interactions energy: -107.770
where: short stacking energy: -71.365
Base-Backbone interact. energy: -0.147
local terms energy: -96.039172
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -190.387089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.387089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.387089 (E_RNA)
where:
Base-Base interactions energy: -102.217
where: short stacking energy: -53.881
Base-Backbone interact. energy: -0.985
local terms energy: -87.185245
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -23.249
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -12.349
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: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -188.619925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.619925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.619925 (E_RNA)
where:
Base-Base interactions energy: -105.234
where: short stacking energy: -44.662
Base-Backbone interact. energy: 0.377
local terms energy: -83.762518
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -130.972050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.972050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.972050 (E_RNA)
where:
Base-Base interactions energy: -52.860
where: short stacking energy: -32.370
Base-Backbone interact. energy: 4.235
local terms energy: -82.347490
where:
bonds (distance) C4'-P energy: -25.499
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: 0.687
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: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -131.316749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.316749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.316749 (E_RNA)
where:
Base-Base interactions energy: -42.610
where: short stacking energy: -36.352
Base-Backbone interact. energy: -0.199
local terms energy: -88.507100
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -6.400
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: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -118.503295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.503295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.503295 (E_RNA)
where:
Base-Base interactions energy: -41.237
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.730
local terms energy: -76.536019
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: 6.671
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: 1, replica: 8
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -333.009813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.009813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.009813 (E_RNA)
where:
Base-Base interactions energy: -205.709
where: short stacking energy: -113.753
Base-Backbone interact. energy: -0.046
local terms energy: -127.255547
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -33.640
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: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -326.718620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.718620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.718620 (E_RNA)
where:
Base-Base interactions energy: -208.181
where: short stacking energy: -107.617
Base-Backbone interact. energy: -0.290
local terms energy: -118.247642
where:
bonds (distance) C4'-P energy: -24.228
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -31.030
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: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -283.597940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.597940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.597940 (E_RNA)
where:
Base-Base interactions energy: -179.104
where: short stacking energy: -75.646
Base-Backbone interact. energy: -0.293
local terms energy: -104.201381
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -21.737
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -277.831921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.831921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.831921 (E_RNA)
where:
Base-Base interactions energy: -159.234
where: short stacking energy: -83.145
Base-Backbone interact. energy: -0.852
local terms energy: -117.745845
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -26.641
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: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -215.883822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.883822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.883822 (E_RNA)
where:
Base-Base interactions energy: -125.681
where: short stacking energy: -51.283
Base-Backbone interact. energy: -0.647
local terms energy: -89.555377
where:
bonds (distance) C4'-P energy: -24.989
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -7.169
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: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -194.760081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.760081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.760081 (E_RNA)
where:
Base-Base interactions energy: -106.833
where: short stacking energy: -51.450
Base-Backbone interact. energy: -0.467
local terms energy: -87.460341
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -11.640
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: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -204.376088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.376088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.376088 (E_RNA)
where:
Base-Base interactions energy: -97.008
where: short stacking energy: -63.476
Base-Backbone interact. energy: -1.633
local terms energy: -105.735242
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -147.554617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.554617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.554617 (E_RNA)
where:
Base-Base interactions energy: -55.311
where: short stacking energy: -52.969
Base-Backbone interact. energy: 0.211
local terms energy: -92.454922
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -118.707829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.707829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.707829 (E_RNA)
where:
Base-Base interactions energy: -44.112
where: short stacking energy: -40.871
Base-Backbone interact. energy: -0.205
local terms energy: -74.391079
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -12.682
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: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -120.223973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.223973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.223973 (E_RNA)
where:
Base-Base interactions energy: -46.359
where: short stacking energy: -31.535
Base-Backbone interact. energy: 1.338
local terms energy: -75.202648
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -361.014443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.014443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.014443 (E_RNA)
where:
Base-Base interactions energy: -229.553
where: short stacking energy: -119.056
Base-Backbone interact. energy: -0.044
local terms energy: -131.417739
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -36.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -327.996517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.996517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.996517 (E_RNA)
where:
Base-Base interactions energy: -214.997
where: short stacking energy: -100.451
Base-Backbone interact. energy: -0.093
local terms energy: -112.906647
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -25.693
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -27.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -300.532120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.532120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.532120 (E_RNA)
where:
Base-Base interactions energy: -190.514
where: short stacking energy: -82.272
Base-Backbone interact. energy: -0.210
local terms energy: -109.807841
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -24.525
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -284.286001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.286001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.286001 (E_RNA)
where:
Base-Base interactions energy: -182.900
where: short stacking energy: -79.275
Base-Backbone interact. energy: 0.747
local terms energy: -102.132752
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -28.195
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -16.053
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: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -241.107383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.107383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.107383 (E_RNA)
where:
Base-Base interactions energy: -134.494
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.601
local terms energy: -106.012635
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -192.127071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.127071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.127071 (E_RNA)
where:
Base-Base interactions energy: -99.703
where: short stacking energy: -64.586
Base-Backbone interact. energy: -1.196
local terms energy: -91.227696
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -10.413
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: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -162.755861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.755861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.755861 (E_RNA)
where:
Base-Base interactions energy: -78.059
where: short stacking energy: -42.237
Base-Backbone interact. energy: 0.738
local terms energy: -85.434380
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -132.835949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.835949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.835949 (E_RNA)
where:
Base-Base interactions energy: -57.538
where: short stacking energy: -51.816
Base-Backbone interact. energy: -0.627
local terms energy: -74.670705
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -13.349
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: 14
Temperature: 1.300000
Total energy: -128.483367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.483367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.483367 (E_RNA)
where:
Base-Base interactions energy: -46.513
where: short stacking energy: -37.378
Base-Backbone interact. energy: 0.900
local terms energy: -82.869868
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -119.876425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.876425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.876425 (E_RNA)
where:
Base-Base interactions energy: -42.924
where: short stacking energy: -34.373
Base-Backbone interact. energy: -0.141
local terms energy: -76.810822
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -335.917269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.917269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.917269 (E_RNA)
where:
Base-Base interactions energy: -212.354
where: short stacking energy: -110.203
Base-Backbone interact. energy: -0.068
local terms energy: -123.496016
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -30.187
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -31.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -323.228124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.228124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.228124 (E_RNA)
where:
Base-Base interactions energy: -205.265
where: short stacking energy: -88.403
Base-Backbone interact. energy: -0.245
local terms energy: -117.718690
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -24.206
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -312.741260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.741260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.741260 (E_RNA)
where:
Base-Base interactions energy: -189.738
where: short stacking energy: -88.547
Base-Backbone interact. energy: -0.290
local terms energy: -122.713671
where:
bonds (distance) C4'-P energy: -24.011
bonds (distance) P-C4' energy: -29.191
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -28.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -290.269092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.269092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.269092 (E_RNA)
where:
Base-Base interactions energy: -188.279
where: short stacking energy: -76.717
Base-Backbone interact. energy: -0.546
local terms energy: -101.444701
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -20.632
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -215.477912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.477912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.477912 (E_RNA)
where:
Base-Base interactions energy: -120.249
where: short stacking energy: -55.076
Base-Backbone interact. energy: -0.735
local terms energy: -94.494346
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -28.058
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -5.478
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: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -222.580218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.580218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.580218 (E_RNA)
where:
Base-Base interactions energy: -126.717
where: short stacking energy: -67.272
Base-Backbone interact. energy: -1.440
local terms energy: -94.422971
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -15.639
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: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -149.956758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.956758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.956758 (E_RNA)
where:
Base-Base interactions energy: -77.078
where: short stacking energy: -42.222
Base-Backbone interact. energy: -0.688
local terms energy: -72.191003
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -11.938
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: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -131.179896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.179896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.179896 (E_RNA)
where:
Base-Base interactions energy: -58.093
where: short stacking energy: -56.635
Base-Backbone interact. energy: 0.301
local terms energy: -73.387948
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -25.735
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -1.967
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -140.640834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.640834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.640834 (E_RNA)
where:
Base-Base interactions energy: -58.101
where: short stacking energy: -40.105
Base-Backbone interact. energy: -0.434
local terms energy: -82.105536
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -108.714410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.714410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.714410 (E_RNA)
where:
Base-Base interactions energy: -40.473
where: short stacking energy: -39.482
Base-Backbone interact. energy: -1.308
local terms energy: -66.933674
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -345.890926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.890926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.890926 (E_RNA)
where:
Base-Base interactions energy: -223.482
where: short stacking energy: -107.433
Base-Backbone interact. energy: -1.335
local terms energy: -121.074496
where:
bonds (distance) C4'-P energy: -25.622
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -23.215
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -29.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -313.843253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.843253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.843253 (E_RNA)
where:
Base-Base interactions energy: -201.241
where: short stacking energy: -103.620
Base-Backbone interact. energy: 0.713
local terms energy: -113.314869
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -25.044
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -26.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -305.974710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.974710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.974710 (E_RNA)
where:
Base-Base interactions energy: -195.844
where: short stacking energy: -84.249
Base-Backbone interact. energy: -0.409
local terms energy: -109.721893
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -19.843
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: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -275.422120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.422120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.422120 (E_RNA)
where:
Base-Base interactions energy: -169.568
where: short stacking energy: -74.572
Base-Backbone interact. energy: -0.189
local terms energy: -105.665093
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -222.397298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.397298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.397298 (E_RNA)
where:
Base-Base interactions energy: -125.139
where: short stacking energy: -70.167
Base-Backbone interact. energy: -0.698
local terms energy: -96.560522
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -27.238
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -19.215
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: 6, replica: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -206.654392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.654392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.654392 (E_RNA)
where:
Base-Base interactions energy: -118.021
where: short stacking energy: -56.632
Base-Backbone interact. energy: 0.810
local terms energy: -89.444087
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -128.580713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.580713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.580713 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -32.227
Base-Backbone interact. energy: -0.114
local terms energy: -91.684975
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -28.823
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -126.792226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.792226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.792226 (E_RNA)
where:
Base-Base interactions energy: -63.464
where: short stacking energy: -33.074
Base-Backbone interact. energy: 0.710
local terms energy: -64.037445
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: 3.706
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: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -130.863085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.863085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.863085 (E_RNA)
where:
Base-Base interactions energy: -53.162
where: short stacking energy: -40.255
Base-Backbone interact. energy: -0.868
local terms energy: -76.833007
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -18.303
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: 10, replica: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -149.793534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.793534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.793534 (E_RNA)
where:
Base-Base interactions energy: -73.510
where: short stacking energy: -30.608
Base-Backbone interact. energy: -0.846
local terms energy: -75.437224
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -325.918146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.918146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.918146 (E_RNA)
where:
Base-Base interactions energy: -209.048
where: short stacking energy: -100.205
Base-Backbone interact. energy: -0.297
local terms energy: -116.573339
where:
bonds (distance) C4'-P energy: -24.592
bonds (distance) P-C4' energy: -26.955
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -325.937386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.937386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.937386 (E_RNA)
where:
Base-Base interactions energy: -200.306
where: short stacking energy: -92.214
Base-Backbone interact. energy: -0.053
local terms energy: -125.578559
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -27.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -306.417077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.417077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.417077 (E_RNA)
where:
Base-Base interactions energy: -199.413
where: short stacking energy: -100.388
Base-Backbone interact. energy: 0.102
local terms energy: -107.105962
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -26.804
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: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -214.147317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.147317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.147317 (E_RNA)
where:
Base-Base interactions energy: -121.535
where: short stacking energy: -77.421
Base-Backbone interact. energy: -1.345
local terms energy: -91.267548
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -11.043
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: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -273.556198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.556198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.556198 (E_RNA)
where:
Base-Base interactions energy: -175.087
where: short stacking energy: -81.905
Base-Backbone interact. energy: -0.933
local terms energy: -97.536256
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -19.354
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -158.449652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.449652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.449652 (E_RNA)
where:
Base-Base interactions energy: -72.621
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.605
local terms energy: -85.223794
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -258.520388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.520388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.520388 (E_RNA)
where:
Base-Base interactions energy: -167.087
where: short stacking energy: -77.765
Base-Backbone interact. energy: -0.172
local terms energy: -91.260484
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -13.868
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: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -126.821077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.821077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.821077 (E_RNA)
where:
Base-Base interactions energy: -40.411
where: short stacking energy: -39.091
Base-Backbone interact. energy: 0.011
local terms energy: -86.420741
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -123.433553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.433553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.433553 (E_RNA)
where:
Base-Base interactions energy: -50.223
where: short stacking energy: -33.535
Base-Backbone interact. energy: 1.580
local terms energy: -74.790520
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -127.784879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.784879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.784879 (E_RNA)
where:
Base-Base interactions energy: -54.490
where: short stacking energy: -30.246
Base-Backbone interact. energy: -0.527
local terms energy: -72.767869
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: 9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -349.348986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.348986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.348986 (E_RNA)
where:
Base-Base interactions energy: -225.018
where: short stacking energy: -113.809
Base-Backbone interact. energy: -0.132
local terms energy: -124.199284
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -34.888
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: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -332.074769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.074769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.074769 (E_RNA)
where:
Base-Base interactions energy: -218.444
where: short stacking energy: -96.617
Base-Backbone interact. energy: -0.587
local terms energy: -113.044124
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -24.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -315.531511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.531511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.531511 (E_RNA)
where:
Base-Base interactions energy: -214.991
where: short stacking energy: -96.441
Base-Backbone interact. energy: -0.380
local terms energy: -100.160235
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -23.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -232.474927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.474927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.474927 (E_RNA)
where:
Base-Base interactions energy: -132.593
where: short stacking energy: -77.235
Base-Backbone interact. energy: -1.101
local terms energy: -98.781369
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -16.014
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: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -264.088732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.088732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.088732 (E_RNA)
where:
Base-Base interactions energy: -165.520
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.694
local terms energy: -97.874432
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -159.929550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.929550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.929550 (E_RNA)
where:
Base-Base interactions energy: -77.324
where: short stacking energy: -47.808
Base-Backbone interact. energy: -0.722
local terms energy: -81.882981
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -6.569
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: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -238.384771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.384771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.384771 (E_RNA)
where:
Base-Base interactions energy: -136.651
where: short stacking energy: -70.533
Base-Backbone interact. energy: -0.275
local terms energy: -101.458161
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -122.491201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.491201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.491201 (E_RNA)
where:
Base-Base interactions energy: -49.875
where: short stacking energy: -46.046
Base-Backbone interact. energy: -0.575
local terms energy: -72.041219
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -5.058
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: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -124.548897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.548897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.548897 (E_RNA)
where:
Base-Base interactions energy: -47.303
where: short stacking energy: -45.722
Base-Backbone interact. energy: -0.009
local terms energy: -77.236780
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -8.228
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: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -112.954912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.954912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.954912 (E_RNA)
where:
Base-Base interactions energy: -39.810
where: short stacking energy: -39.810
Base-Backbone interact. energy: -0.227
local terms energy: -72.918303
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -340.647213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.647213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.647213 (E_RNA)
where:
Base-Base interactions energy: -212.630
where: short stacking energy: -113.400
Base-Backbone interact. energy: -0.408
local terms energy: -127.609440
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -25.813
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -34.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -334.077464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.077464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.077464 (E_RNA)
where:
Base-Base interactions energy: -215.415
where: short stacking energy: -109.648
Base-Backbone interact. energy: -0.115
local terms energy: -118.547174
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -28.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -326.999548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.999548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.999548 (E_RNA)
where:
Base-Base interactions energy: -217.925
where: short stacking energy: -90.553
Base-Backbone interact. energy: -0.215
local terms energy: -108.860141
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -26.062
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -272.526476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.526476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.526476 (E_RNA)
where:
Base-Base interactions energy: -167.653
where: short stacking energy: -80.028
Base-Backbone interact. energy: -1.623
local terms energy: -103.250520
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -24.455
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -21.098
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: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -217.539524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.539524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.539524 (E_RNA)
where:
Base-Base interactions energy: -121.683
where: short stacking energy: -69.085
Base-Backbone interact. energy: -0.188
local terms energy: -95.668716
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -28.191
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -12.907
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: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -252.534106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.534106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.534106 (E_RNA)
where:
Base-Base interactions energy: -159.241
where: short stacking energy: -78.864
Base-Backbone interact. energy: -0.220
local terms energy: -93.073663
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -24.130
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -145.837410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.837410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.837410 (E_RNA)
where:
Base-Base interactions energy: -55.845
where: short stacking energy: -53.654
Base-Backbone interact. energy: -1.091
local terms energy: -88.901473
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -14.871
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: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -138.866690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.866690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.866690 (E_RNA)
where:
Base-Base interactions energy: -68.463
where: short stacking energy: -32.988
Base-Backbone interact. energy: -0.669
local terms energy: -69.734886
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -4.005
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: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -114.720664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.720664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.720664 (E_RNA)
where:
Base-Base interactions energy: -39.792
where: short stacking energy: -26.408
Base-Backbone interact. energy: 0.840
local terms energy: -75.769275
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -25.871
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: 2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -106.129613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.129613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.129613 (E_RNA)
where:
Base-Base interactions energy: -28.777
where: short stacking energy: -20.925
Base-Backbone interact. energy: -0.413
local terms energy: -76.939293
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -18.790
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: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -347.308635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.308635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.308635 (E_RNA)
where:
Base-Base interactions energy: -225.556
where: short stacking energy: -98.662
Base-Backbone interact. energy: -0.423
local terms energy: -121.329662
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -314.525927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.525927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.525927 (E_RNA)
where:
Base-Base interactions energy: -196.282
where: short stacking energy: -91.925
Base-Backbone interact. energy: -0.036
local terms energy: -118.208227
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -28.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -327.389551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.389551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.389551 (E_RNA)
where:
Base-Base interactions energy: -205.496
where: short stacking energy: -100.836
Base-Backbone interact. energy: -0.582
local terms energy: -121.311189
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -28.194
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -28.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -282.386616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.386616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.386616 (E_RNA)
where:
Base-Base interactions energy: -178.973
where: short stacking energy: -77.812
Base-Backbone interact. energy: -0.720
local terms energy: -102.693470
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -283.373026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.373026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.373026 (E_RNA)
where:
Base-Base interactions energy: -174.753
where: short stacking energy: -81.098
Base-Backbone interact. energy: -0.451
local terms energy: -108.168760
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -27.154
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -213.519530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.519530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.519530 (E_RNA)
where:
Base-Base interactions energy: -113.622
where: short stacking energy: -54.966
Base-Backbone interact. energy: 0.274
local terms energy: -100.171469
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -166.847051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.847051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.847051 (E_RNA)
where:
Base-Base interactions energy: -85.387
where: short stacking energy: -50.018
Base-Backbone interact. energy: -0.089
local terms energy: -81.370742
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -10.280
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: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -134.747597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.747597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.747597 (E_RNA)
where:
Base-Base interactions energy: -51.551
where: short stacking energy: -50.533
Base-Backbone interact. energy: -0.093
local terms energy: -83.103479
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -140.819440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.819440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.819440 (E_RNA)
where:
Base-Base interactions energy: -61.308
where: short stacking energy: -49.546
Base-Backbone interact. energy: -0.278
local terms energy: -79.232723
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -105.576176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.576176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.576176 (E_RNA)
where:
Base-Base interactions energy: -27.092
where: short stacking energy: -26.356
Base-Backbone interact. energy: -0.228
local terms energy: -78.256369
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -337.451347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.451347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.451347 (E_RNA)
where:
Base-Base interactions energy: -220.326
where: short stacking energy: -107.206
Base-Backbone interact. energy: -0.217
local terms energy: -116.907581
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -26.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -345.817310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.817310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.817310 (E_RNA)
where:
Base-Base interactions energy: -214.987
where: short stacking energy: -100.859
Base-Backbone interact. energy: 1.662
local terms energy: -132.492768
where:
bonds (distance) C4'-P energy: -26.060
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -27.493
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -31.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -323.856963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.856963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.856963 (E_RNA)
where:
Base-Base interactions energy: -201.447
where: short stacking energy: -102.489
Base-Backbone interact. energy: -0.018
local terms energy: -122.392056
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -27.101
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -295.312160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.312160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.312160 (E_RNA)
where:
Base-Base interactions energy: -177.562
where: short stacking energy: -85.183
Base-Backbone interact. energy: 0.177
local terms energy: -117.927134
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -26.670
flat angles C4'-P-C4' energy: -24.495
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -24.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -274.128820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.128820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.128820 (E_RNA)
where:
Base-Base interactions energy: -170.399
where: short stacking energy: -76.965
Base-Backbone interact. energy: -0.284
local terms energy: -103.445492
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -202.795846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.795846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.795846 (E_RNA)
where:
Base-Base interactions energy: -105.827
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.376
local terms energy: -96.592695
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -136.443480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.443480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.443480 (E_RNA)
where:
Base-Base interactions energy: -63.438
where: short stacking energy: -49.407
Base-Backbone interact. energy: -1.742
local terms energy: -71.263255
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -6.315
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: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -125.259885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.259885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.259885 (E_RNA)
where:
Base-Base interactions energy: -49.941
where: short stacking energy: -45.677
Base-Backbone interact. energy: -1.853
local terms energy: -73.465478
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -131.533070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.533070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.533070 (E_RNA)
where:
Base-Base interactions energy: -50.007
where: short stacking energy: -36.038
Base-Backbone interact. energy: 0.310
local terms energy: -81.836949
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -104.841115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.841115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.841115 (E_RNA)
where:
Base-Base interactions energy: -33.033
where: short stacking energy: -26.604
Base-Backbone interact. energy: -0.824
local terms energy: -70.984030
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: 6.746
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: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -347.188743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.188743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.188743 (E_RNA)
where:
Base-Base interactions energy: -233.004
where: short stacking energy: -103.995
Base-Backbone interact. energy: -0.522
local terms energy: -113.662408
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -306.659505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.659505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.659505 (E_RNA)
where:
Base-Base interactions energy: -181.511
where: short stacking energy: -87.769
Base-Backbone interact. energy: -0.071
local terms energy: -125.077565
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -24.000
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -28.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -319.983199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.983199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.983199 (E_RNA)
where:
Base-Base interactions energy: -206.090
where: short stacking energy: -98.432
Base-Backbone interact. energy: -0.641
local terms energy: -113.252217
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -31.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -295.831306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.831306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.831306 (E_RNA)
where:
Base-Base interactions energy: -184.142
where: short stacking energy: -92.816
Base-Backbone interact. energy: -0.044
local terms energy: -111.644578
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -28.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -269.072062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.072062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.072062 (E_RNA)
where:
Base-Base interactions energy: -170.630
where: short stacking energy: -77.169
Base-Backbone interact. energy: -0.137
local terms energy: -98.305472
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -18.800
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: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -182.879176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.879176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.879176 (E_RNA)
where:
Base-Base interactions energy: -92.801
where: short stacking energy: -50.436
Base-Backbone interact. energy: -0.215
local terms energy: -89.863726
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -27.146
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -133.936513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.936513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.936513 (E_RNA)
where:
Base-Base interactions energy: -51.711
where: short stacking energy: -51.711
Base-Backbone interact. energy: 0.699
local terms energy: -82.923982
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -126.878172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.878172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.878172 (E_RNA)
where:
Base-Base interactions energy: -50.882
where: short stacking energy: -35.996
Base-Backbone interact. energy: -0.187
local terms energy: -75.809016
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -116.470483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.470483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.470483 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -30.694
Base-Backbone interact. energy: 0.658
local terms energy: -85.120156
where:
bonds (distance) C4'-P energy: -25.754
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -113.242689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.242689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.242689 (E_RNA)
where:
Base-Base interactions energy: -50.983
where: short stacking energy: -31.984
Base-Backbone interact. energy: -0.371
local terms energy: -61.888900
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -24.926
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -9.912
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: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -340.244791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.244791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.244791 (E_RNA)
where:
Base-Base interactions energy: -220.125
where: short stacking energy: -97.866
Base-Backbone interact. energy: -1.637
local terms energy: -118.482591
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -29.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -338.837103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.837103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.837103 (E_RNA)
where:
Base-Base interactions energy: -211.446
where: short stacking energy: -104.438
Base-Backbone interact. energy: -0.324
local terms energy: -127.067795
where:
bonds (distance) C4'-P energy: -27.584
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -26.258
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -29.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -300.557887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.557887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.557887 (E_RNA)
where:
Base-Base interactions energy: -184.328
where: short stacking energy: -91.585
Base-Backbone interact. energy: -0.009
local terms energy: -116.220766
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -27.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -293.631541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.631541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.631541 (E_RNA)
where:
Base-Base interactions energy: -172.982
where: short stacking energy: -92.381
Base-Backbone interact. energy: 0.437
local terms energy: -121.087381
where:
bonds (distance) C4'-P energy: -28.510
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -27.060
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: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -277.003183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.003183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.003183 (E_RNA)
where:
Base-Base interactions energy: -164.037
where: short stacking energy: -85.525
Base-Backbone interact. energy: -0.157
local terms energy: -112.810124
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -29.553
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -158.981820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.981820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.981820 (E_RNA)
where:
Base-Base interactions energy: -56.444
where: short stacking energy: -44.465
Base-Backbone interact. energy: 0.318
local terms energy: -102.856064
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -27.677
flat angles P-C4'-P energy: -15.392
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: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -145.265391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.265391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.265391 (E_RNA)
where:
Base-Base interactions energy: -57.893
where: short stacking energy: -57.127
Base-Backbone interact. energy: -0.122
local terms energy: -87.251105
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -10.044
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: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -123.025057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.025057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.025057 (E_RNA)
where:
Base-Base interactions energy: -41.705
where: short stacking energy: -29.148
Base-Backbone interact. energy: -0.425
local terms energy: -80.895246
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -24.080
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: 0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -124.441542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.441542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.441542 (E_RNA)
where:
Base-Base interactions energy: -43.737
where: short stacking energy: -44.037
Base-Backbone interact. energy: -0.153
local terms energy: -80.551128
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -106.459930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.459930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.459930 (E_RNA)
where:
Base-Base interactions energy: -30.407
where: short stacking energy: -28.446
Base-Backbone interact. energy: -1.746
local terms energy: -74.306894
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: 9.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -338.007833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.007833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.007833 (E_RNA)
where:
Base-Base interactions energy: -220.226
where: short stacking energy: -104.645
Base-Backbone interact. energy: -0.402
local terms energy: -117.380115
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -29.589
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: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -325.724821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.724821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.724821 (E_RNA)
where:
Base-Base interactions energy: -207.630
where: short stacking energy: -100.220
Base-Backbone interact. energy: -0.454
local terms energy: -117.640632
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -296.993278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.993278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.993278 (E_RNA)
where:
Base-Base interactions energy: -176.446
where: short stacking energy: -99.830
Base-Backbone interact. energy: 0.489
local terms energy: -121.036134
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -28.203
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -28.006
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: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -280.590830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.590830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.590830 (E_RNA)
where:
Base-Base interactions energy: -190.585
where: short stacking energy: -85.895
Base-Backbone interact. energy: 2.111
local terms energy: -92.117344
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -283.739130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.739130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.739130 (E_RNA)
where:
Base-Base interactions energy: -168.072
where: short stacking energy: -78.719
Base-Backbone interact. energy: 1.921
local terms energy: -117.588199
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -26.848
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -24.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -178.037372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.037372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.037372 (E_RNA)
where:
Base-Base interactions energy: -68.026
where: short stacking energy: -55.161
Base-Backbone interact. energy: -0.182
local terms energy: -109.829669
where:
bonds (distance) C4'-P energy: -25.022
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -18.443
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: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -135.844115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.844115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.844115 (E_RNA)
where:
Base-Base interactions energy: -58.303
where: short stacking energy: -48.685
Base-Backbone interact. energy: -0.870
local terms energy: -76.670992
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -118.450738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.450738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.450738 (E_RNA)
where:
Base-Base interactions energy: -38.893
where: short stacking energy: -37.150
Base-Backbone interact. energy: 0.299
local terms energy: -79.856659
where:
bonds (distance) C4'-P energy: -24.629
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: 1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -124.159642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.159642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.159642 (E_RNA)
where:
Base-Base interactions energy: -33.824
where: short stacking energy: -25.551
Base-Backbone interact. energy: -0.142
local terms energy: -90.192836
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -3.627
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: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -120.601576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.601576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.601576 (E_RNA)
where:
Base-Base interactions energy: -39.738
where: short stacking energy: -38.778
Base-Backbone interact. energy: -0.462
local terms energy: -80.401665
where:
bonds (distance) C4'-P energy: -20.693
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -23.469
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -325.009305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.009305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.009305 (E_RNA)
where:
Base-Base interactions energy: -209.501
where: short stacking energy: -103.961
Base-Backbone interact. energy: -0.108
local terms energy: -115.399881
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -29.947
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: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -306.656109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.656109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.656109 (E_RNA)
where:
Base-Base interactions energy: -178.019
where: short stacking energy: -104.526
Base-Backbone interact. energy: -1.158
local terms energy: -127.479139
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -34.800
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: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -331.447633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.447633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.447633 (E_RNA)
where:
Base-Base interactions energy: -221.121
where: short stacking energy: -108.959
Base-Backbone interact. energy: -0.253
local terms energy: -110.073590
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -32.991
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: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -299.474449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.474449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.474449 (E_RNA)
where:
Base-Base interactions energy: -195.615
where: short stacking energy: -81.936
Base-Backbone interact. energy: -0.122
local terms energy: -103.737395
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -19.100
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: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -264.864777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.864777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.864777 (E_RNA)
where:
Base-Base interactions energy: -165.021
where: short stacking energy: -72.117
Base-Backbone interact. energy: -0.958
local terms energy: -98.885595
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -162.904680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.904680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.904680 (E_RNA)
where:
Base-Base interactions energy: -80.175
where: short stacking energy: -35.079
Base-Backbone interact. energy: -2.075
local terms energy: -80.654042
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -14.138
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: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -132.980038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.980038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.980038 (E_RNA)
where:
Base-Base interactions energy: -58.869
where: short stacking energy: -45.038
Base-Backbone interact. energy: 0.620
local terms energy: -74.731018
where:
bonds (distance) C4'-P energy: -20.597
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -119.702598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.702598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.702598 (E_RNA)
where:
Base-Base interactions energy: -41.435
where: short stacking energy: -34.214
Base-Backbone interact. energy: -0.200
local terms energy: -78.067333
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -25.555
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -13.840
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: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -114.678249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.678249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.678249 (E_RNA)
where:
Base-Base interactions energy: -48.233
where: short stacking energy: -42.251
Base-Backbone interact. energy: -0.169
local terms energy: -66.276525
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -133.347371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.347371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.347371 (E_RNA)
where:
Base-Base interactions energy: -56.450
where: short stacking energy: -36.159
Base-Backbone interact. energy: 0.018
local terms energy: -76.915593
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -301.209486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.209486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.209486 (E_RNA)
where:
Base-Base interactions energy: -182.607
where: short stacking energy: -84.043
Base-Backbone interact. energy: -0.538
local terms energy: -118.064026
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -26.768
flat angles C4'-P-C4' energy: -27.605
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -25.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -327.016740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.016740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.016740 (E_RNA)
where:
Base-Base interactions energy: -205.857
where: short stacking energy: -98.773
Base-Backbone interact. energy: -0.111
local terms energy: -121.048921
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -30.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -303.042709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.042709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.042709 (E_RNA)
where:
Base-Base interactions energy: -192.207
where: short stacking energy: -90.283
Base-Backbone interact. energy: 0.162
local terms energy: -110.997669
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -23.815
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: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -297.080544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.080544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.080544 (E_RNA)
where:
Base-Base interactions energy: -199.128
where: short stacking energy: -99.037
Base-Backbone interact. energy: -0.071
local terms energy: -97.881357
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -24.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -266.639818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.639818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.639818 (E_RNA)
where:
Base-Base interactions energy: -167.243
where: short stacking energy: -76.386
Base-Backbone interact. energy: -0.222
local terms energy: -99.174856
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -25.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -159.149931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.149931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.149931 (E_RNA)
where:
Base-Base interactions energy: -56.334
where: short stacking energy: -51.836
Base-Backbone interact. energy: 0.273
local terms energy: -103.089544
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -127.402395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.402395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.402395 (E_RNA)
where:
Base-Base interactions energy: -46.447
where: short stacking energy: -36.565
Base-Backbone interact. energy: -1.515
local terms energy: -79.440809
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -138.546578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.546578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.546578 (E_RNA)
where:
Base-Base interactions energy: -47.237
where: short stacking energy: -44.716
Base-Backbone interact. energy: -0.158
local terms energy: -91.151425
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -9.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -127.441570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.441570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.441570 (E_RNA)
where:
Base-Base interactions energy: -56.987
where: short stacking energy: -25.926
Base-Backbone interact. energy: -0.506
local terms energy: -69.948028
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: 6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -115.341236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.341236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.341236 (E_RNA)
where:
Base-Base interactions energy: -43.820
where: short stacking energy: -33.219
Base-Backbone interact. energy: -0.197
local terms energy: -71.324232
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: 2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -306.249514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.249514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.249514 (E_RNA)
where:
Base-Base interactions energy: -184.269
where: short stacking energy: -102.249
Base-Backbone interact. energy: -0.652
local terms energy: -121.328464
where:
bonds (distance) C4'-P energy: -24.654
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -31.503
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: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -334.011939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.011939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.011939 (E_RNA)
where:
Base-Base interactions energy: -212.852
where: short stacking energy: -108.777
Base-Backbone interact. energy: -0.419
local terms energy: -120.741009
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -29.197
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: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -300.403001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.403001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.403001 (E_RNA)
where:
Base-Base interactions energy: -196.963
where: short stacking energy: -89.635
Base-Backbone interact. energy: -0.366
local terms energy: -103.073893
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -290.887046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.887046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.887046 (E_RNA)
where:
Base-Base interactions energy: -176.940
where: short stacking energy: -91.677
Base-Backbone interact. energy: -0.253
local terms energy: -113.693700
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -24.518
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: 27
Temperature: 1.100000
Total energy: -288.698530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.698530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.698530 (E_RNA)
where:
Base-Base interactions energy: -189.244
where: short stacking energy: -79.510
Base-Backbone interact. energy: -0.814
local terms energy: -98.639956
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -167.967572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.967572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.967572 (E_RNA)
where:
Base-Base interactions energy: -89.595
where: short stacking energy: -36.535
Base-Backbone interact. energy: 0.512
local terms energy: -78.884271
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -4.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -133.003075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.003075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.003075 (E_RNA)
where:
Base-Base interactions energy: -46.167
where: short stacking energy: -45.707
Base-Backbone interact. energy: -0.295
local terms energy: -86.540727
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -19.612
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: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -152.608261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.608261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.608261 (E_RNA)
where:
Base-Base interactions energy: -74.064
where: short stacking energy: -28.936
Base-Backbone interact. energy: 0.220
local terms energy: -78.763824
where:
bonds (distance) C4'-P energy: -25.296
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: 0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -124.885826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.885826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.885826 (E_RNA)
where:
Base-Base interactions energy: -47.001
where: short stacking energy: -45.152
Base-Backbone interact. energy: -0.279
local terms energy: -77.605883
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -6.285
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: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -120.243794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.243794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.243794 (E_RNA)
where:
Base-Base interactions energy: -43.747
where: short stacking energy: -34.779
Base-Backbone interact. energy: -0.436
local terms energy: -76.060826
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -345.111087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.111087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.111087 (E_RNA)
where:
Base-Base interactions energy: -215.842
where: short stacking energy: -97.286
Base-Backbone interact. energy: -0.092
local terms energy: -129.177437
where:
bonds (distance) C4'-P energy: -28.738
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -30.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -300.561722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.561722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.561722 (E_RNA)
where:
Base-Base interactions energy: -183.212
where: short stacking energy: -101.839
Base-Backbone interact. energy: -1.352
local terms energy: -115.997312
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -29.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -309.006279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.006279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.006279 (E_RNA)
where:
Base-Base interactions energy: -202.396
where: short stacking energy: -99.059
Base-Backbone interact. energy: 1.201
local terms energy: -107.810890
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -26.218
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -25.208
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: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -283.616462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.616462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.616462 (E_RNA)
where:
Base-Base interactions energy: -183.107
where: short stacking energy: -81.887
Base-Backbone interact. energy: 0.224
local terms energy: -100.734318
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -15.829
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: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -301.397770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.397770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.397770 (E_RNA)
where:
Base-Base interactions energy: -192.523
where: short stacking energy: -96.111
Base-Backbone interact. energy: -0.035
local terms energy: -108.839921
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -29.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -208.864666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.864666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.864666 (E_RNA)
where:
Base-Base interactions energy: -116.220
where: short stacking energy: -52.817
Base-Backbone interact. energy: -0.062
local terms energy: -92.582859
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -171.531608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.531608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.531608 (E_RNA)
where:
Base-Base interactions energy: -76.578
where: short stacking energy: -39.977
Base-Backbone interact. energy: -1.210
local terms energy: -93.743216
where:
bonds (distance) C4'-P energy: -27.256
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -129.843938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.843938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.843938 (E_RNA)
where:
Base-Base interactions energy: -46.702
where: short stacking energy: -41.354
Base-Backbone interact. energy: -0.380
local terms energy: -82.762134
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -24.320
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -114.795512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.795512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.795512 (E_RNA)
where:
Base-Base interactions energy: -38.924
where: short stacking energy: -35.606
Base-Backbone interact. energy: -0.942
local terms energy: -74.929490
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: 4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -102.567209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.567209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.567209 (E_RNA)
where:
Base-Base interactions energy: -43.825
where: short stacking energy: -23.826
Base-Backbone interact. energy: 1.530
local terms energy: -60.272396
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: 5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -330.942727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.942727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.942727 (E_RNA)
where:
Base-Base interactions energy: -205.197
where: short stacking energy: -88.751
Base-Backbone interact. energy: -0.458
local terms energy: -125.287159
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -26.328
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -30.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -316.977199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.977199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.977199 (E_RNA)
where:
Base-Base interactions energy: -202.983
where: short stacking energy: -107.297
Base-Backbone interact. energy: -0.114
local terms energy: -113.880387
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -30.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -296.570664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.570664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.570664 (E_RNA)
where:
Base-Base interactions energy: -175.344
where: short stacking energy: -93.653
Base-Backbone interact. energy: -0.135
local terms energy: -121.091404
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -27.906
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -27.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -312.372948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.372948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.372948 (E_RNA)
where:
Base-Base interactions energy: -202.753
where: short stacking energy: -102.560
Base-Backbone interact. energy: 0.664
local terms energy: -110.284550
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -29.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -275.139743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.139743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.139743 (E_RNA)
where:
Base-Base interactions energy: -178.666
where: short stacking energy: -79.510
Base-Backbone interact. energy: -0.130
local terms energy: -96.342966
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -15.113
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: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -196.241037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.241037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.241037 (E_RNA)
where:
Base-Base interactions energy: -108.505
where: short stacking energy: -51.656
Base-Backbone interact. energy: 0.897
local terms energy: -88.632874
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -6.986
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: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -176.728928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.728928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.728928 (E_RNA)
where:
Base-Base interactions energy: -83.908
where: short stacking energy: -48.886
Base-Backbone interact. energy: 1.051
local terms energy: -93.871625
where:
bonds (distance) C4'-P energy: -25.301
bonds (distance) P-C4' energy: -27.033
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -10.210
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: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -141.737110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.737110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.737110 (E_RNA)
where:
Base-Base interactions energy: -63.590
where: short stacking energy: -49.897
Base-Backbone interact. energy: 1.212
local terms energy: -79.359204
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -10.346
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: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -121.984667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.984667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.984667 (E_RNA)
where:
Base-Base interactions energy: -36.953
where: short stacking energy: -34.970
Base-Backbone interact. energy: -0.289
local terms energy: -84.742186
where:
bonds (distance) C4'-P energy: -22.545
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -7.012
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: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -109.601002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.601002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.601002 (E_RNA)
where:
Base-Base interactions energy: -33.107
where: short stacking energy: -33.107
Base-Backbone interact. energy: 0.459
local terms energy: -76.952840
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -349.853126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.853126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.853126 (E_RNA)
where:
Base-Base interactions energy: -219.520
where: short stacking energy: -101.480
Base-Backbone interact. energy: -0.979
local terms energy: -129.353528
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -31.102
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: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -326.227232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.227232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.227232 (E_RNA)
where:
Base-Base interactions energy: -202.984
where: short stacking energy: -105.700
Base-Backbone interact. energy: -0.034
local terms energy: -123.209342
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -27.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -323.401532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.401532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.401532 (E_RNA)
where:
Base-Base interactions energy: -192.376
where: short stacking energy: -98.437
Base-Backbone interact. energy: -0.649
local terms energy: -130.375718
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -30.162
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: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -271.908758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.908758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.908758 (E_RNA)
where:
Base-Base interactions energy: -157.830
where: short stacking energy: -97.405
Base-Backbone interact. energy: -0.281
local terms energy: -113.797901
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -27.437
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: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -295.735089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.735089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.735089 (E_RNA)
where:
Base-Base interactions energy: -194.842
where: short stacking energy: -82.499
Base-Backbone interact. energy: -0.411
local terms energy: -100.482611
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -227.305279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.305279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.305279 (E_RNA)
where:
Base-Base interactions energy: -131.598
where: short stacking energy: -50.692
Base-Backbone interact. energy: -1.227
local terms energy: -94.480630
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -172.161198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.161198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.161198 (E_RNA)
where:
Base-Base interactions energy: -82.024
where: short stacking energy: -37.419
Base-Backbone interact. energy: -0.965
local terms energy: -89.172428
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -18.288
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: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -128.838159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.838159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.838159 (E_RNA)
where:
Base-Base interactions energy: -53.115
where: short stacking energy: -36.760
Base-Backbone interact. energy: -0.186
local terms energy: -75.537450
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -25.782
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -9.137
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: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -116.444578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.444578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.444578 (E_RNA)
where:
Base-Base interactions energy: -45.094
where: short stacking energy: -30.319
Base-Backbone interact. energy: 1.170
local terms energy: -72.520388
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -117.443753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.443753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.443753 (E_RNA)
where:
Base-Base interactions energy: -34.972
where: short stacking energy: -34.972
Base-Backbone interact. energy: -0.257
local terms energy: -82.214797
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -334.968510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.968510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.968510 (E_RNA)
where:
Base-Base interactions energy: -223.779
where: short stacking energy: -92.415
Base-Backbone interact. energy: -0.380
local terms energy: -110.809499
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -28.164
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -317.746600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.746600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.746600 (E_RNA)
where:
Base-Base interactions energy: -190.542
where: short stacking energy: -103.383
Base-Backbone interact. energy: -2.680
local terms energy: -124.524407
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -30.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -314.865226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.865226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.865226 (E_RNA)
where:
Base-Base interactions energy: -193.976
where: short stacking energy: -94.487
Base-Backbone interact. energy: -0.714
local terms energy: -120.175001
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -29.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -273.465645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.465645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.465645 (E_RNA)
where:
Base-Base interactions energy: -163.061
where: short stacking energy: -81.819
Base-Backbone interact. energy: -0.057
local terms energy: -110.347762
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -21.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -299.251933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.251933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.251933 (E_RNA)
where:
Base-Base interactions energy: -196.495
where: short stacking energy: -100.315
Base-Backbone interact. energy: -0.307
local terms energy: -102.450627
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -27.955
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: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -235.248063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.248063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.248063 (E_RNA)
where:
Base-Base interactions energy: -144.286
where: short stacking energy: -68.393
Base-Backbone interact. energy: -0.171
local terms energy: -90.791022
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -13.612
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: 7, replica: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -205.268525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.268525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.268525 (E_RNA)
where:
Base-Base interactions energy: -125.051
where: short stacking energy: -47.781
Base-Backbone interact. energy: 0.742
local terms energy: -80.959866
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -128.868279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.868279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.868279 (E_RNA)
where:
Base-Base interactions energy: -57.271
where: short stacking energy: -42.062
Base-Backbone interact. energy: -0.333
local terms energy: -71.264250
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: 1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -128.958034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.958034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.958034 (E_RNA)
where:
Base-Base interactions energy: -61.359
where: short stacking energy: -38.545
Base-Backbone interact. energy: 0.085
local terms energy: -67.684192
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: 5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -112.189714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.189714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.189714 (E_RNA)
where:
Base-Base interactions energy: -47.531
where: short stacking energy: -34.971
Base-Backbone interact. energy: -1.563
local terms energy: -63.095877
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: 4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -328.477164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.477164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.477164 (E_RNA)
where:
Base-Base interactions energy: -217.801
where: short stacking energy: -97.441
Base-Backbone interact. energy: -0.481
local terms energy: -110.194671
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -29.173
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: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -316.292661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.292661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.292661 (E_RNA)
where:
Base-Base interactions energy: -199.545
where: short stacking energy: -98.548
Base-Backbone interact. energy: -0.085
local terms energy: -116.661964
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -25.510
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -24.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -291.284533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.284533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.284533 (E_RNA)
where:
Base-Base interactions energy: -180.333
where: short stacking energy: -97.433
Base-Backbone interact. energy: -0.887
local terms energy: -110.064751
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -20.603
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -27.953
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: 32
Temperature: 1.050000
Total energy: -304.713857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.713857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.713857 (E_RNA)
where:
Base-Base interactions energy: -201.842
where: short stacking energy: -101.692
Base-Backbone interact. energy: -0.146
local terms energy: -102.725679
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -29.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -288.525263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.525263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.525263 (E_RNA)
where:
Base-Base interactions energy: -179.461
where: short stacking energy: -72.017
Base-Backbone interact. energy: -1.186
local terms energy: -107.878208
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -22.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -208.749982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.749982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.749982 (E_RNA)
where:
Base-Base interactions energy: -116.341
where: short stacking energy: -51.075
Base-Backbone interact. energy: -0.197
local terms energy: -92.212521
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -24.218
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -211.252892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.252892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.252892 (E_RNA)
where:
Base-Base interactions energy: -137.005
where: short stacking energy: -59.908
Base-Backbone interact. energy: 0.402
local terms energy: -74.650599
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -111.270356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.270356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.270356 (E_RNA)
where:
Base-Base interactions energy: -41.251
where: short stacking energy: -28.743
Base-Backbone interact. energy: -0.562
local terms energy: -69.457760
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: 7.403
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: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -118.372350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.372350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.372350 (E_RNA)
where:
Base-Base interactions energy: -33.891
where: short stacking energy: -33.241
Base-Backbone interact. energy: -0.275
local terms energy: -84.206801
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -25.034
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -16.807
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: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -123.067708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.067708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.067708 (E_RNA)
where:
Base-Base interactions energy: -54.712
where: short stacking energy: -32.121
Base-Backbone interact. energy: -0.472
local terms energy: -67.883563
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -13.959
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: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -340.223215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.223215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.223215 (E_RNA)
where:
Base-Base interactions energy: -211.873
where: short stacking energy: -95.549
Base-Backbone interact. energy: -0.040
local terms energy: -128.310440
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -26.190
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -26.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -319.936206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.936206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.936206 (E_RNA)
where:
Base-Base interactions energy: -200.081
where: short stacking energy: -104.086
Base-Backbone interact. energy: -0.994
local terms energy: -118.860415
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -28.164
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -26.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -282.196120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.196120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.196120 (E_RNA)
where:
Base-Base interactions energy: -163.747
where: short stacking energy: -85.874
Base-Backbone interact. energy: -1.207
local terms energy: -117.242275
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -23.798
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: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -283.171387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.171387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.171387 (E_RNA)
where:
Base-Base interactions energy: -177.203
where: short stacking energy: -65.620
Base-Backbone interact. energy: -0.829
local terms energy: -105.139220
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -284.769792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.769792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.769792 (E_RNA)
where:
Base-Base interactions energy: -174.012
where: short stacking energy: -75.053
Base-Backbone interact. energy: -0.176
local terms energy: -110.581576
where:
bonds (distance) C4'-P energy: -25.649
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -225.155182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.155182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.155182 (E_RNA)
where:
Base-Base interactions energy: -132.095
where: short stacking energy: -72.041
Base-Backbone interact. energy: 0.268
local terms energy: -93.328377
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -17.880
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: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -194.023385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.023385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.023385 (E_RNA)
where:
Base-Base interactions energy: -109.598
where: short stacking energy: -42.333
Base-Backbone interact. energy: -1.132
local terms energy: -83.293393
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -14.042
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: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -176.727460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.727460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.727460 (E_RNA)
where:
Base-Base interactions energy: -95.419
where: short stacking energy: -52.201
Base-Backbone interact. energy: 0.473
local terms energy: -81.781221
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -119.400971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.400971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.400971 (E_RNA)
where:
Base-Base interactions energy: -47.998
where: short stacking energy: -45.700
Base-Backbone interact. energy: -0.352
local terms energy: -71.050780
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -105.127357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.127357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.127357 (E_RNA)
where:
Base-Base interactions energy: -41.097
where: short stacking energy: -30.881
Base-Backbone interact. energy: -0.957
local terms energy: -63.072683
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -9.681
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: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -334.865407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.865407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.865407 (E_RNA)
where:
Base-Base interactions energy: -209.246
where: short stacking energy: -96.861
Base-Backbone interact. energy: -0.392
local terms energy: -125.227615
where:
bonds (distance) C4'-P energy: -26.492
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -28.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -322.239970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.239970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.239970 (E_RNA)
where:
Base-Base interactions energy: -202.780
where: short stacking energy: -106.933
Base-Backbone interact. energy: -0.693
local terms energy: -118.766906
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -27.719
flat angles C4'-P-C4' energy: -26.389
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -29.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -278.694896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.694896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.694896 (E_RNA)
where:
Base-Base interactions energy: -161.897
where: short stacking energy: -92.082
Base-Backbone interact. energy: -0.615
local terms energy: -116.183018
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -294.801619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.801619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.801619 (E_RNA)
where:
Base-Base interactions energy: -171.517
where: short stacking energy: -79.829
Base-Backbone interact. energy: -0.984
local terms energy: -122.299915
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -307.097218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.097218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.097218 (E_RNA)
where:
Base-Base interactions energy: -194.722
where: short stacking energy: -86.547
Base-Backbone interact. energy: -0.094
local terms energy: -112.281252
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -34.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -249.919213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.919213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.919213 (E_RNA)
where:
Base-Base interactions energy: -150.649
where: short stacking energy: -69.474
Base-Backbone interact. energy: -1.226
local terms energy: -98.043973
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -244.962327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.962327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.962327 (E_RNA)
where:
Base-Base interactions energy: -152.429
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.479
local terms energy: -92.054249
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -11.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -171.492842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.492842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.492842 (E_RNA)
where:
Base-Base interactions energy: -86.147
where: short stacking energy: -48.334
Base-Backbone interact. energy: 1.752
local terms energy: -87.097571
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -123.462088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.462088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.462088 (E_RNA)
where:
Base-Base interactions energy: -58.674
where: short stacking energy: -43.665
Base-Backbone interact. energy: -0.512
local terms energy: -64.275788
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -0.030
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: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -116.013876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.013876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.013876 (E_RNA)
where:
Base-Base interactions energy: -35.054
where: short stacking energy: -19.201
Base-Backbone interact. energy: -0.392
local terms energy: -80.567721
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: 5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -357.500049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.500049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.500049 (E_RNA)
where:
Base-Base interactions energy: -225.882
where: short stacking energy: -114.939
Base-Backbone interact. energy: -0.700
local terms energy: -130.918445
where:
bonds (distance) C4'-P energy: -25.199
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -26.960
flat angles P-C4'-P energy: -21.629
tors. eta vs tors. theta energy: -30.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -310.763749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.763749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.763749 (E_RNA)
where:
Base-Base interactions energy: -190.205
where: short stacking energy: -94.233
Base-Backbone interact. energy: -0.408
local terms energy: -120.151325
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -23.700
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: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -265.973853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.973853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.973853 (E_RNA)
where:
Base-Base interactions energy: -169.628
where: short stacking energy: -73.988
Base-Backbone interact. energy: -1.895
local terms energy: -94.450609
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -318.710977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.710977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.710977 (E_RNA)
where:
Base-Base interactions energy: -206.333
where: short stacking energy: -102.632
Base-Backbone interact. energy: 1.184
local terms energy: -113.561872
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -26.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -276.270521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.270521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.270521 (E_RNA)
where:
Base-Base interactions energy: -177.164
where: short stacking energy: -75.675
Base-Backbone interact. energy: -0.482
local terms energy: -98.624709
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -21.896
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: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -264.402487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.402487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.402487 (E_RNA)
where:
Base-Base interactions energy: -159.876
where: short stacking energy: -70.564
Base-Backbone interact. energy: -0.176
local terms energy: -104.350673
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -26.998
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -243.973776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.973776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.973776 (E_RNA)
where:
Base-Base interactions energy: -140.118
where: short stacking energy: -60.986
Base-Backbone interact. energy: -1.247
local terms energy: -102.609469
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -27.393
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -16.112
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: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -129.649417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.649417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.649417 (E_RNA)
where:
Base-Base interactions energy: -68.463
where: short stacking energy: -45.856
Base-Backbone interact. energy: -0.608
local terms energy: -60.578195
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -9.956
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: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -149.346012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.346012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.346012 (E_RNA)
where:
Base-Base interactions energy: -74.078
where: short stacking energy: -42.200
Base-Backbone interact. energy: 0.200
local terms energy: -75.468111
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -25.281
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -118.291380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.291380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.291380 (E_RNA)
where:
Base-Base interactions energy: -51.539
where: short stacking energy: -35.152
Base-Backbone interact. energy: -0.967
local terms energy: -65.785940
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -16.268
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: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -363.232639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.232639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.232639 (E_RNA)
where:
Base-Base interactions energy: -229.643
where: short stacking energy: -106.621
Base-Backbone interact. energy: -0.353
local terms energy: -133.236698
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -27.232
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: -36.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -322.043742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.043742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.043742 (E_RNA)
where:
Base-Base interactions energy: -199.202
where: short stacking energy: -101.385
Base-Backbone interact. energy: -0.179
local terms energy: -122.663246
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -28.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -344.996499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.996499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.996499 (E_RNA)
where:
Base-Base interactions energy: -227.394
where: short stacking energy: -104.668
Base-Backbone interact. energy: 0.306
local terms energy: -117.908597
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -25.701
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: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -256.167421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.167421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.167421 (E_RNA)
where:
Base-Base interactions energy: -148.246
where: short stacking energy: -59.087
Base-Backbone interact. energy: 3.214
local terms energy: -111.135162
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -27.791
flat angles P-C4'-P energy: -16.914
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: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -285.018857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.018857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.018857 (E_RNA)
where:
Base-Base interactions energy: -185.090
where: short stacking energy: -74.739
Base-Backbone interact. energy: -0.636
local terms energy: -99.293227
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -270.651279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.651279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.651279 (E_RNA)
where:
Base-Base interactions energy: -162.415
where: short stacking energy: -76.542
Base-Backbone interact. energy: -0.183
local terms energy: -108.053023
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -17.522
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: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -226.971207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.971207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.971207 (E_RNA)
where:
Base-Base interactions energy: -130.794
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.332
local terms energy: -95.845327
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -13.738
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: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -146.248559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.248559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.248559 (E_RNA)
where:
Base-Base interactions energy: -68.634
where: short stacking energy: -41.165
Base-Backbone interact. energy: 1.308
local terms energy: -78.922743
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -158.407305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.407305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.407305 (E_RNA)
where:
Base-Base interactions energy: -72.169
where: short stacking energy: -44.798
Base-Backbone interact. energy: -0.190
local terms energy: -86.048384
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -115.650644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.650644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.650644 (E_RNA)
where:
Base-Base interactions energy: -47.360
where: short stacking energy: -30.295
Base-Backbone interact. energy: -0.487
local terms energy: -67.802953
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -356.389872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.389872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.389872 (E_RNA)
where:
Base-Base interactions energy: -228.894
where: short stacking energy: -113.874
Base-Backbone interact. energy: -1.064
local terms energy: -126.432472
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -32.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -358.917611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.917611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.917611 (E_RNA)
where:
Base-Base interactions energy: -241.010
where: short stacking energy: -108.851
Base-Backbone interact. energy: 0.786
local terms energy: -118.693021
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -30.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -309.874407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.874407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.874407 (E_RNA)
where:
Base-Base interactions energy: -198.159
where: short stacking energy: -94.700
Base-Backbone interact. energy: 0.407
local terms energy: -112.122340
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -23.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -280.207777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.207777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.207777 (E_RNA)
where:
Base-Base interactions energy: -179.651
where: short stacking energy: -84.004
Base-Backbone interact. energy: -0.033
local terms energy: -100.523140
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -23.569
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -13.526
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: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -250.142589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.142589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.142589 (E_RNA)
where:
Base-Base interactions energy: -150.304
where: short stacking energy: -75.097
Base-Backbone interact. energy: 1.300
local terms energy: -101.138591
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -268.506932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.506932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.506932 (E_RNA)
where:
Base-Base interactions energy: -163.765
where: short stacking energy: -76.697
Base-Backbone interact. energy: -0.259
local terms energy: -104.483298
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -18.106
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: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -248.077582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.077582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.077582 (E_RNA)
where:
Base-Base interactions energy: -159.607
where: short stacking energy: -75.087
Base-Backbone interact. energy: -0.117
local terms energy: -88.354042
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -138.387937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.387937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.387937 (E_RNA)
where:
Base-Base interactions energy: -53.922
where: short stacking energy: -34.137
Base-Backbone interact. energy: -0.192
local terms energy: -84.274323
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -28.354
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -123.819976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.819976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.819976 (E_RNA)
where:
Base-Base interactions energy: -45.429
where: short stacking energy: -43.539
Base-Backbone interact. energy: -0.303
local terms energy: -78.088234
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -116.850719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.850719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.850719 (E_RNA)
where:
Base-Base interactions energy: -49.072
where: short stacking energy: -42.532
Base-Backbone interact. energy: -0.481
local terms energy: -67.298204
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -352.590552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.590552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.590552 (E_RNA)
where:
Base-Base interactions energy: -225.756
where: short stacking energy: -103.802
Base-Backbone interact. energy: -0.210
local terms energy: -126.623882
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -29.715
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -32.803
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: 38
Temperature: 0.950000
Total energy: -329.499831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.499831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.499831 (E_RNA)
where:
Base-Base interactions energy: -209.077
where: short stacking energy: -101.633
Base-Backbone interact. energy: -0.111
local terms energy: -120.311955
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -29.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -301.307386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.307386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.307386 (E_RNA)
where:
Base-Base interactions energy: -191.184
where: short stacking energy: -87.222
Base-Backbone interact. energy: -0.402
local terms energy: -109.721087
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -26.428
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -286.454038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.454038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.454038 (E_RNA)
where:
Base-Base interactions energy: -185.053
where: short stacking energy: -81.062
Base-Backbone interact. energy: -0.372
local terms energy: -101.029079
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -274.631027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.631027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.631027 (E_RNA)
where:
Base-Base interactions energy: -168.441
where: short stacking energy: -72.574
Base-Backbone interact. energy: -0.166
local terms energy: -106.023138
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -16.394
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: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -236.698705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.698705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.698705 (E_RNA)
where:
Base-Base interactions energy: -134.501
where: short stacking energy: -78.880
Base-Backbone interact. energy: -0.975
local terms energy: -101.222360
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -7.597
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: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -190.688927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.688927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.688927 (E_RNA)
where:
Base-Base interactions energy: -95.920
where: short stacking energy: -51.425
Base-Backbone interact. energy: -0.641
local terms energy: -94.127864
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -126.896279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.896279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.896279 (E_RNA)
where:
Base-Base interactions energy: -49.901
where: short stacking energy: -36.565
Base-Backbone interact. energy: -0.260
local terms energy: -76.735107
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -22.681
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -9.314
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: 9, replica: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -125.304270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.304270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.304270 (E_RNA)
where:
Base-Base interactions energy: -50.847
where: short stacking energy: -40.075
Base-Backbone interact. energy: -0.371
local terms energy: -74.086233
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: 4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -123.503657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.503657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.503657 (E_RNA)
where:
Base-Base interactions energy: -46.026
where: short stacking energy: -34.184
Base-Backbone interact. energy: -0.593
local terms energy: -76.884394
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -18.835
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: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -366.712036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.712036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.712036 (E_RNA)
where:
Base-Base interactions energy: -240.378
where: short stacking energy: -110.696
Base-Backbone interact. energy: 0.356
local terms energy: -126.689877
where:
bonds (distance) C4'-P energy: -23.754
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -34.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -340.540026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.540026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.540026 (E_RNA)
where:
Base-Base interactions energy: -217.796
where: short stacking energy: -99.538
Base-Backbone interact. energy: -0.676
local terms energy: -122.067999
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -25.133
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -30.472
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: 39
Temperature: 1.000000
Total energy: -313.210086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.210086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.210086 (E_RNA)
where:
Base-Base interactions energy: -209.409
where: short stacking energy: -94.586
Base-Backbone interact. energy: 0.010
local terms energy: -103.811244
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -285.543032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.543032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.543032 (E_RNA)
where:
Base-Base interactions energy: -180.875
where: short stacking energy: -88.817
Base-Backbone interact. energy: -1.415
local terms energy: -103.253096
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -12.328
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: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -275.638153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.638153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.638153 (E_RNA)
where:
Base-Base interactions energy: -170.737
where: short stacking energy: -81.775
Base-Backbone interact. energy: -0.757
local terms energy: -104.143844
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -249.996377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.996377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.996377 (E_RNA)
where:
Base-Base interactions energy: -145.853
where: short stacking energy: -75.801
Base-Backbone interact. energy: -0.311
local terms energy: -103.832441
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -207.273633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.273633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.273633 (E_RNA)
where:
Base-Base interactions energy: -108.425
where: short stacking energy: -60.792
Base-Backbone interact. energy: -0.233
local terms energy: -98.615686
where:
bonds (distance) C4'-P energy: -25.267
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -22.930
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -127.260619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.260619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.260619 (E_RNA)
where:
Base-Base interactions energy: -62.124
where: short stacking energy: -45.645
Base-Backbone interact. energy: 0.290
local terms energy: -65.426689
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -140.248713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.248713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.248713 (E_RNA)
where:
Base-Base interactions energy: -64.706
where: short stacking energy: -29.637
Base-Backbone interact. energy: 0.340
local terms energy: -75.882830
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -15.693
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: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -118.033434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.033434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.033434 (E_RNA)
where:
Base-Base interactions energy: -38.703
where: short stacking energy: -38.602
Base-Backbone interact. energy: -0.103
local terms energy: -79.227617
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -16.843
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: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -374.881771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.881771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.881771 (E_RNA)
where:
Base-Base interactions energy: -249.471
where: short stacking energy: -105.880
Base-Backbone interact. energy: -0.214
local terms energy: -125.197541
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -28.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -328.222195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.222195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.222195 (E_RNA)
where:
Base-Base interactions energy: -214.164
where: short stacking energy: -103.460
Base-Backbone interact. energy: -0.538
local terms energy: -113.520026
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -23.797
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -34.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -320.313240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.313240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.313240 (E_RNA)
where:
Base-Base interactions energy: -197.707
where: short stacking energy: -91.253
Base-Backbone interact. energy: -0.811
local terms energy: -121.795497
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -27.387
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: 40
Temperature: 1.050000
Total energy: -314.667791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.667791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.667791 (E_RNA)
where:
Base-Base interactions energy: -207.725
where: short stacking energy: -86.096
Base-Backbone interact. energy: -0.522
local terms energy: -106.420478
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -29.243
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -246.402053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.402053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.402053 (E_RNA)
where:
Base-Base interactions energy: -138.771
where: short stacking energy: -76.160
Base-Backbone interact. energy: -0.131
local terms energy: -107.500498
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -260.229348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.229348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.229348 (E_RNA)
where:
Base-Base interactions energy: -164.099
where: short stacking energy: -81.667
Base-Backbone interact. energy: -0.026
local terms energy: -96.104518
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -208.517827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.517827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.517827 (E_RNA)
where:
Base-Base interactions energy: -117.965
where: short stacking energy: -50.045
Base-Backbone interact. energy: -0.261
local terms energy: -90.291894
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -134.442231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.442231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.442231 (E_RNA)
where:
Base-Base interactions energy: -50.866
where: short stacking energy: -47.160
Base-Backbone interact. energy: -1.905
local terms energy: -81.671996
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -115.705169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.705169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.705169 (E_RNA)
where:
Base-Base interactions energy: -34.147
where: short stacking energy: -34.147
Base-Backbone interact. energy: -0.152
local terms energy: -81.406577
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -15.429
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: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -113.667305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.667305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.667305 (E_RNA)
where:
Base-Base interactions energy: -69.700
where: short stacking energy: -44.897
Base-Backbone interact. energy: 1.667
local terms energy: -45.634421
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: 2.763
flat angles P-C4'-P energy: -15.499
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: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -362.031894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.031894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.031894 (E_RNA)
where:
Base-Base interactions energy: -240.653
where: short stacking energy: -120.486
Base-Backbone interact. energy: -0.861
local terms energy: -120.517759
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -35.482
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: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -327.167558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.167558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.167558 (E_RNA)
where:
Base-Base interactions energy: -206.762
where: short stacking energy: -86.504
Base-Backbone interact. energy: -0.356
local terms energy: -120.049642
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -30.752
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: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -298.648319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.648319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.648319 (E_RNA)
where:
Base-Base interactions energy: -189.812
where: short stacking energy: -83.249
Base-Backbone interact. energy: 0.920
local terms energy: -109.756968
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -308.875152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.875152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.875152 (E_RNA)
where:
Base-Base interactions energy: -204.793
where: short stacking energy: -101.120
Base-Backbone interact. energy: -2.731
local terms energy: -101.351690
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -25.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -259.080521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.080521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.080521 (E_RNA)
where:
Base-Base interactions energy: -153.186
where: short stacking energy: -84.854
Base-Backbone interact. energy: -0.880
local terms energy: -105.014921
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -29.242
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: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -287.149337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.149337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.149337 (E_RNA)
where:
Base-Base interactions energy: -188.013
where: short stacking energy: -85.675
Base-Backbone interact. energy: 1.829
local terms energy: -100.965598
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -19.600
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -149.488012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.488012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.488012 (E_RNA)
where:
Base-Base interactions energy: -55.094
where: short stacking energy: -55.094
Base-Backbone interact. energy: -1.253
local terms energy: -93.140990
where:
bonds (distance) C4'-P energy: -25.122
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -126.270705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.270705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.270705 (E_RNA)
where:
Base-Base interactions energy: -46.978
where: short stacking energy: -43.846
Base-Backbone interact. energy: 0.338
local terms energy: -79.630213
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -124.206325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.206325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.206325 (E_RNA)
where:
Base-Base interactions energy: -55.518
where: short stacking energy: -42.441
Base-Backbone interact. energy: -0.604
local terms energy: -68.084853
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -21.082
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -1.503
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: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -104.880468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.880468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.880468 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -30.827
Base-Backbone interact. energy: 0.100
local terms energy: -74.084294
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -27.323
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: 4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -362.835448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.835448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.835448 (E_RNA)
where:
Base-Base interactions energy: -236.400
where: short stacking energy: -108.300
Base-Backbone interact. energy: -0.248
local terms energy: -126.187440
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -27.268
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -31.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -331.108833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.108833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.108833 (E_RNA)
where:
Base-Base interactions energy: -207.224
where: short stacking energy: -95.804
Base-Backbone interact. energy: -0.675
local terms energy: -123.210350
where:
bonds (distance) C4'-P energy: -26.388
bonds (distance) P-C4' energy: -26.207
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -26.271
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: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -314.034231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.034231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.034231 (E_RNA)
where:
Base-Base interactions energy: -209.497
where: short stacking energy: -97.089
Base-Backbone interact. energy: -0.372
local terms energy: -104.165160
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -22.065
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: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -309.889560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.889560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.889560 (E_RNA)
where:
Base-Base interactions energy: -197.417
where: short stacking energy: -88.242
Base-Backbone interact. energy: -0.693
local terms energy: -111.779897
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -286.274113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.274113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.274113 (E_RNA)
where:
Base-Base interactions energy: -176.433
where: short stacking energy: -86.004
Base-Backbone interact. energy: -0.104
local terms energy: -109.737170
where:
bonds (distance) C4'-P energy: -24.567
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -28.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -238.179028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.179028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.179028 (E_RNA)
where:
Base-Base interactions energy: -132.740
where: short stacking energy: -73.033
Base-Backbone interact. energy: -0.081
local terms energy: -105.357450
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -18.144
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: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -136.871322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.871322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.871322 (E_RNA)
where:
Base-Base interactions energy: -61.144
where: short stacking energy: -57.654
Base-Backbone interact. energy: -0.131
local terms energy: -75.596929
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -8.693
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: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -166.813094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.813094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.813094 (E_RNA)
where:
Base-Base interactions energy: -80.327
where: short stacking energy: -42.279
Base-Backbone interact. energy: -0.462
local terms energy: -86.023461
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -116.160566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.160566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.160566 (E_RNA)
where:
Base-Base interactions energy: -45.783
where: short stacking energy: -39.537
Base-Backbone interact. energy: -0.466
local terms energy: -69.911285
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: 0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -120.072503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.072503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.072503 (E_RNA)
where:
Base-Base interactions energy: -40.316
where: short stacking energy: -36.197
Base-Backbone interact. energy: -1.145
local terms energy: -78.610967
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -2.288
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: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -367.141726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.141726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.141726 (E_RNA)
where:
Base-Base interactions energy: -245.250
where: short stacking energy: -117.614
Base-Backbone interact. energy: 0.405
local terms energy: -122.296731
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -31.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -337.297558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.297558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.297558 (E_RNA)
where:
Base-Base interactions energy: -228.118
where: short stacking energy: -107.304
Base-Backbone interact. energy: -0.420
local terms energy: -108.759063
where:
bonds (distance) C4'-P energy: -28.286
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -28.317
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: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -322.261792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.261792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.261792 (E_RNA)
where:
Base-Base interactions energy: -208.591
where: short stacking energy: -98.234
Base-Backbone interact. energy: -0.667
local terms energy: -113.004487
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -25.557
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -26.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -313.296644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.296644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.296644 (E_RNA)
where:
Base-Base interactions energy: -200.610
where: short stacking energy: -91.229
Base-Backbone interact. energy: -1.260
local terms energy: -111.426787
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -287.488014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.488014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.488014 (E_RNA)
where:
Base-Base interactions energy: -172.548
where: short stacking energy: -88.478
Base-Backbone interact. energy: -0.226
local terms energy: -114.714728
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -25.327
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -24.892
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: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -189.928080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.928080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.928080 (E_RNA)
where:
Base-Base interactions energy: -92.811
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.339
local terms energy: -96.777853
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -13.427
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: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -198.965106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.965106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.965106 (E_RNA)
where:
Base-Base interactions energy: -101.863
where: short stacking energy: -54.329
Base-Backbone interact. energy: -0.713
local terms energy: -96.389165
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -11.001
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: 43
Temperature: 1.250000
Total energy: -199.942428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.942428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.942428 (E_RNA)
where:
Base-Base interactions energy: -109.312
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.295
local terms energy: -90.334914
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -14.396
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: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -118.137537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.137537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.137537 (E_RNA)
where:
Base-Base interactions energy: -38.469
where: short stacking energy: -36.322
Base-Backbone interact. energy: -0.577
local terms energy: -79.092167
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -111.696695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.696695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.696695 (E_RNA)
where:
Base-Base interactions energy: -39.619
where: short stacking energy: -28.651
Base-Backbone interact. energy: 1.197
local terms energy: -73.274946
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: 4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -353.569383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.569383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.569383 (E_RNA)
where:
Base-Base interactions energy: -227.078
where: short stacking energy: -107.347
Base-Backbone interact. energy: -0.730
local terms energy: -125.761524
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -32.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -357.387298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.387298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.387298 (E_RNA)
where:
Base-Base interactions energy: -237.528
where: short stacking energy: -114.074
Base-Backbone interact. energy: 2.123
local terms energy: -121.982289
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -31.297
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: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -318.993195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.993195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.993195 (E_RNA)
where:
Base-Base interactions energy: -219.722
where: short stacking energy: -92.135
Base-Backbone interact. energy: -0.297
local terms energy: -98.974833
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -313.195485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.195485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.195485 (E_RNA)
where:
Base-Base interactions energy: -199.774
where: short stacking energy: -86.088
Base-Backbone interact. energy: -0.454
local terms energy: -112.967181
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -27.621
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -279.882956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.882956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.882956 (E_RNA)
where:
Base-Base interactions energy: -165.434
where: short stacking energy: -88.199
Base-Backbone interact. energy: -0.184
local terms energy: -114.264876
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -24.865
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -16.835
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: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -164.134262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.134262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.134262 (E_RNA)
where:
Base-Base interactions energy: -79.080
where: short stacking energy: -49.079
Base-Backbone interact. energy: 0.780
local terms energy: -85.833987
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -176.810546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.810546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.810546 (E_RNA)
where:
Base-Base interactions energy: -94.892
where: short stacking energy: -56.921
Base-Backbone interact. energy: 0.010
local terms energy: -81.928584
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -132.075698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.075698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.075698 (E_RNA)
where:
Base-Base interactions energy: -58.865
where: short stacking energy: -36.764
Base-Backbone interact. energy: -1.205
local terms energy: -72.005614
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -2.583
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: 44
Temperature: 1.300000
Total energy: -117.642650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.642650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.642650 (E_RNA)
where:
Base-Base interactions energy: -44.931
where: short stacking energy: -37.402
Base-Backbone interact. energy: -0.443
local terms energy: -72.268776
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -15.279
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: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -104.950761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.950761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.950761 (E_RNA)
where:
Base-Base interactions energy: -29.605
where: short stacking energy: -23.354
Base-Backbone interact. energy: -0.278
local terms energy: -75.067722
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -356.585430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.585430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.585430 (E_RNA)
where:
Base-Base interactions energy: -230.491
where: short stacking energy: -109.915
Base-Backbone interact. energy: -0.558
local terms energy: -125.536907
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -33.886
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: 2, replica: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -350.589880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.589880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.589880 (E_RNA)
where:
Base-Base interactions energy: -233.455
where: short stacking energy: -104.641
Base-Backbone interact. energy: 0.155
local terms energy: -117.289704
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -26.649
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -25.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -327.711679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.711679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.711679 (E_RNA)
where:
Base-Base interactions energy: -221.713
where: short stacking energy: -94.455
Base-Backbone interact. energy: -0.988
local terms energy: -105.010114
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -25.789
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -332.159475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.159475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.159475 (E_RNA)
where:
Base-Base interactions energy: -211.844
where: short stacking energy: -116.258
Base-Backbone interact. energy: 0.925
local terms energy: -121.240814
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -34.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -297.139960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.139960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.139960 (E_RNA)
where:
Base-Base interactions energy: -189.535
where: short stacking energy: -85.526
Base-Backbone interact. energy: -0.170
local terms energy: -107.434442
where:
bonds (distance) C4'-P energy: -26.226
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -217.869296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.869296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.869296 (E_RNA)
where:
Base-Base interactions energy: -138.053
where: short stacking energy: -52.054
Base-Backbone interact. energy: -0.359
local terms energy: -79.457622
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -146.677653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.677653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.677653 (E_RNA)
where:
Base-Base interactions energy: -56.426
where: short stacking energy: -54.826
Base-Backbone interact. energy: -0.230
local terms energy: -90.022006
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -136.265935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.265935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.265935 (E_RNA)
where:
Base-Base interactions energy: -56.358
where: short stacking energy: -35.349
Base-Backbone interact. energy: -0.327
local terms energy: -79.581222
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -26.393
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: 0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -119.708754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.708754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.708754 (E_RNA)
where:
Base-Base interactions energy: -40.865
where: short stacking energy: -32.252
Base-Backbone interact. energy: -0.332
local terms energy: -78.512029
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -106.782359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.782359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.782359 (E_RNA)
where:
Base-Base interactions energy: -37.747
where: short stacking energy: -31.217
Base-Backbone interact. energy: -0.251
local terms energy: -68.784518
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -2.983
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: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -349.117187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.117187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.117187 (E_RNA)
where:
Base-Base interactions energy: -236.027
where: short stacking energy: -104.802
Base-Backbone interact. energy: -0.099
local terms energy: -112.991518
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -24.038
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: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -363.689204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.689204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.689204 (E_RNA)
where:
Base-Base interactions energy: -243.455
where: short stacking energy: -103.797
Base-Backbone interact. energy: -0.534
local terms energy: -119.699674
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -30.860
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: 46
Temperature: 1.000000
Total energy: -312.359141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.359141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.359141 (E_RNA)
where:
Base-Base interactions energy: -207.715
where: short stacking energy: -83.986
Base-Backbone interact. energy: 3.321
local terms energy: -107.965760
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -328.885646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.885646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.885646 (E_RNA)
where:
Base-Base interactions energy: -215.824
where: short stacking energy: -97.167
Base-Backbone interact. energy: -1.643
local terms energy: -111.418304
where:
bonds (distance) C4'-P energy: -27.100
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -26.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -280.106285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.106285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.106285 (E_RNA)
where:
Base-Base interactions energy: -175.668
where: short stacking energy: -81.788
Base-Backbone interact. energy: 0.053
local terms energy: -104.490979
where:
bonds (distance) C4'-P energy: -23.309
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -239.621690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.621690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.621690 (E_RNA)
where:
Base-Base interactions energy: -145.282
where: short stacking energy: -77.815
Base-Backbone interact. energy: -0.030
local terms energy: -94.309254
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -137.085721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.085721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.085721 (E_RNA)
where:
Base-Base interactions energy: -56.587
where: short stacking energy: -34.589
Base-Backbone interact. energy: -0.393
local terms energy: -80.105492
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -118.529191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.529191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.529191 (E_RNA)
where:
Base-Base interactions energy: -35.060
where: short stacking energy: -24.792
Base-Backbone interact. energy: -0.743
local terms energy: -82.725486
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -25.841
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -14.729
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: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -125.988063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.988063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.988063 (E_RNA)
where:
Base-Base interactions energy: -42.242
where: short stacking energy: -37.192
Base-Backbone interact. energy: 0.800
local terms energy: -84.546592
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -15.588
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: 10, replica: 3
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -142.766231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.766231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.766231 (E_RNA)
where:
Base-Base interactions energy: -80.769
where: short stacking energy: -42.914
Base-Backbone interact. energy: 0.170
local terms energy: -62.167278
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: 2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -362.643531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.643531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.643531 (E_RNA)
where:
Base-Base interactions energy: -247.657
where: short stacking energy: -113.619
Base-Backbone interact. energy: -0.201
local terms energy: -114.786092
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -24.823
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -28.271
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: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -360.353671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.353671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.353671 (E_RNA)
where:
Base-Base interactions energy: -242.714
where: short stacking energy: -106.829
Base-Backbone interact. energy: -1.080
local terms energy: -116.559351
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -28.045
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: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -311.006899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.006899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.006899 (E_RNA)
where:
Base-Base interactions energy: -201.198
where: short stacking energy: -89.034
Base-Backbone interact. energy: 0.394
local terms energy: -110.202171
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -24.387
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -22.713
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: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -326.937569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.937569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.937569 (E_RNA)
where:
Base-Base interactions energy: -204.300
where: short stacking energy: -98.896
Base-Backbone interact. energy: -1.872
local terms energy: -120.765758
where:
bonds (distance) C4'-P energy: -28.167
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -29.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -293.323187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.323187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.323187 (E_RNA)
where:
Base-Base interactions energy: -180.974
where: short stacking energy: -79.426
Base-Backbone interact. energy: -0.502
local terms energy: -111.847006
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -28.651
flat angles P-C4'-P energy: -19.312
tors. eta vs tors. theta energy: -15.911
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: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -237.068250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.068250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.068250 (E_RNA)
where:
Base-Base interactions energy: -138.146
where: short stacking energy: -64.810
Base-Backbone interact. energy: -0.190
local terms energy: -98.732360
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -25.517
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -135.709014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.709014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.709014 (E_RNA)
where:
Base-Base interactions energy: -51.552
where: short stacking energy: -40.828
Base-Backbone interact. energy: -1.520
local terms energy: -82.636748
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -133.225294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.225294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.225294 (E_RNA)
where:
Base-Base interactions energy: -55.645
where: short stacking energy: -32.786
Base-Backbone interact. energy: -0.362
local terms energy: -77.218869
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -124.180451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.180451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.180451 (E_RNA)
where:
Base-Base interactions energy: -40.801
where: short stacking energy: -28.482
Base-Backbone interact. energy: 0.205
local terms energy: -83.584501
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -124.446257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.446257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.446257 (E_RNA)
where:
Base-Base interactions energy: -37.167
where: short stacking energy: -37.094
Base-Backbone interact. energy: -0.158
local terms energy: -87.121846
where:
bonds (distance) C4'-P energy: -25.170
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -352.108291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.108291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.108291 (E_RNA)
where:
Base-Base interactions energy: -228.581
where: short stacking energy: -103.479
Base-Backbone interact. energy: -0.196
local terms energy: -123.331145
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -26.130
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -29.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -353.306785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.306785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.306785 (E_RNA)
where:
Base-Base interactions energy: -227.812
where: short stacking energy: -104.844
Base-Backbone interact. energy: -0.248
local terms energy: -125.246380
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -27.906
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -33.479
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: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -312.133432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.133432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.133432 (E_RNA)
where:
Base-Base interactions energy: -204.919
where: short stacking energy: -97.346
Base-Backbone interact. energy: -0.474
local terms energy: -106.741217
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -25.871
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -25.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -335.287694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.287694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.287694 (E_RNA)
where:
Base-Base interactions energy: -223.501
where: short stacking energy: -96.410
Base-Backbone interact. energy: -1.537
local terms energy: -110.249135
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -31.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -287.856544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.856544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.856544 (E_RNA)
where:
Base-Base interactions energy: -189.907
where: short stacking energy: -89.542
Base-Backbone interact. energy: -0.542
local terms energy: -97.406939
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -210.116246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.116246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.116246 (E_RNA)
where:
Base-Base interactions energy: -120.956
where: short stacking energy: -62.954
Base-Backbone interact. energy: 0.214
local terms energy: -89.374616
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -148.929389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.929389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.929389 (E_RNA)
where:
Base-Base interactions energy: -66.217
where: short stacking energy: -58.143
Base-Backbone interact. energy: -0.548
local terms energy: -82.164222
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -145.916571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.916571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.916571 (E_RNA)
where:
Base-Base interactions energy: -73.937
where: short stacking energy: -39.147
Base-Backbone interact. energy: 0.205
local terms energy: -72.185459
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -2.694
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -129.046815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.046815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.046815 (E_RNA)
where:
Base-Base interactions energy: -50.227
where: short stacking energy: -31.741
Base-Backbone interact. energy: -0.324
local terms energy: -78.496054
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -20.938
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -13.229
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: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -100.985723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.985723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.985723 (E_RNA)
where:
Base-Base interactions energy: -28.478
where: short stacking energy: -29.178
Base-Backbone interact. energy: -0.255
local terms energy: -72.252847
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -372.825060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.825060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.825060 (E_RNA)
where:
Base-Base interactions energy: -250.337
where: short stacking energy: -125.470
Base-Backbone interact. energy: -0.127
local terms energy: -122.361057
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -32.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -362.542856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.542856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.542856 (E_RNA)
where:
Base-Base interactions energy: -236.047
where: short stacking energy: -112.254
Base-Backbone interact. energy: -0.584
local terms energy: -125.911616
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -33.343
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: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -306.422086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.422086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.422086 (E_RNA)
where:
Base-Base interactions energy: -203.131
where: short stacking energy: -74.716
Base-Backbone interact. energy: -0.187
local terms energy: -103.104424
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -26.559
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -11.398
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: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -315.418734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.418734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.418734 (E_RNA)
where:
Base-Base interactions energy: -204.206
where: short stacking energy: -102.846
Base-Backbone interact. energy: -0.116
local terms energy: -111.096932
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -29.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -296.436314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.436314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.436314 (E_RNA)
where:
Base-Base interactions energy: -198.150
where: short stacking energy: -83.298
Base-Backbone interact. energy: -1.017
local terms energy: -97.269720
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -245.223340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.223340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.223340 (E_RNA)
where:
Base-Base interactions energy: -147.779
where: short stacking energy: -71.017
Base-Backbone interact. energy: -0.304
local terms energy: -97.140894
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -25.081
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -23.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -123.322601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.322601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.322601 (E_RNA)
where:
Base-Base interactions energy: -40.986
where: short stacking energy: -23.575
Base-Backbone interact. energy: -1.263
local terms energy: -81.073305
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -12.575
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: 8, replica: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -174.793748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.793748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.793748 (E_RNA)
where:
Base-Base interactions energy: -92.467
where: short stacking energy: -47.068
Base-Backbone interact. energy: 0.267
local terms energy: -82.593676
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -19.146
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: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -122.488426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.488426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.488426 (E_RNA)
where:
Base-Base interactions energy: -40.779
where: short stacking energy: -32.603
Base-Backbone interact. energy: -0.681
local terms energy: -81.028305
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: 0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -118.026703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.026703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.026703 (E_RNA)
where:
Base-Base interactions energy: -46.499
where: short stacking energy: -34.667
Base-Backbone interact. energy: -0.420
local terms energy: -71.106924
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -357.150270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.150270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.150270 (E_RNA)
where:
Base-Base interactions energy: -232.223
where: short stacking energy: -88.722
Base-Backbone interact. energy: -0.529
local terms energy: -124.397938
where:
bonds (distance) C4'-P energy: -25.153
bonds (distance) P-C4' energy: -25.540
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -30.309
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: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -362.110038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.110038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.110038 (E_RNA)
where:
Base-Base interactions energy: -244.186
where: short stacking energy: -108.375
Base-Backbone interact. energy: -0.887
local terms energy: -117.036705
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -25.393
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -33.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -314.328398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.328398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.328398 (E_RNA)
where:
Base-Base interactions energy: -201.222
where: short stacking energy: -94.284
Base-Backbone interact. energy: -0.824
local terms energy: -112.281759
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -303.808812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.808812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.808812 (E_RNA)
where:
Base-Base interactions energy: -201.011
where: short stacking energy: -73.319
Base-Backbone interact. energy: -1.084
local terms energy: -101.713633
where:
bonds (distance) C4'-P energy: -27.621
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -12.694
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: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -283.933759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.933759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.933759 (E_RNA)
where:
Base-Base interactions energy: -175.411
where: short stacking energy: -90.261
Base-Backbone interact. energy: -0.138
local terms energy: -108.384953
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -24.971
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: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -232.996186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.996186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.996186 (E_RNA)
where:
Base-Base interactions energy: -144.015
where: short stacking energy: -78.139
Base-Backbone interact. energy: 2.829
local terms energy: -91.810265
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -133.824341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.824341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.824341 (E_RNA)
where:
Base-Base interactions energy: -69.289
where: short stacking energy: -39.810
Base-Backbone interact. energy: -0.173
local terms energy: -64.361987
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -117.097669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.097669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.097669 (E_RNA)
where:
Base-Base interactions energy: -50.798
where: short stacking energy: -44.793
Base-Backbone interact. energy: -0.137
local terms energy: -66.162963
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -131.454456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.454456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.454456 (E_RNA)
where:
Base-Base interactions energy: -62.140
where: short stacking energy: -40.702
Base-Backbone interact. energy: -1.005
local terms energy: -68.309527
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -15.363
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: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -114.740640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.740640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.740640 (E_RNA)
where:
Base-Base interactions energy: -33.128
where: short stacking energy: -30.291
Base-Backbone interact. energy: -0.358
local terms energy: -81.254843
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -370.542938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.542938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.542938 (E_RNA)
where:
Base-Base interactions energy: -248.961
where: short stacking energy: -111.893
Base-Backbone interact. energy: 0.593
local terms energy: -122.174833
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -27.606
flat angles C4'-P-C4' energy: -26.456
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -32.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -328.925681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.925681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.925681 (E_RNA)
where:
Base-Base interactions energy: -211.442
where: short stacking energy: -95.411
Base-Backbone interact. energy: 0.516
local terms energy: -118.000161
where:
bonds (distance) C4'-P energy: -24.815
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -348.774303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.774303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.774303 (E_RNA)
where:
Base-Base interactions energy: -227.034
where: short stacking energy: -108.527
Base-Backbone interact. energy: -0.124
local terms energy: -121.615742
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -35.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -301.073785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.073785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.073785 (E_RNA)
where:
Base-Base interactions energy: -204.705
where: short stacking energy: -87.357
Base-Backbone interact. energy: -1.007
local terms energy: -95.361780
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -270.201331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.201331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.201331 (E_RNA)
where:
Base-Base interactions energy: -169.968
where: short stacking energy: -76.782
Base-Backbone interact. energy: -0.442
local terms energy: -99.791271
where:
bonds (distance) C4'-P energy: -28.867
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -251.558727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.558727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.558727 (E_RNA)
where:
Base-Base interactions energy: -144.774
where: short stacking energy: -75.757
Base-Backbone interact. energy: -0.162
local terms energy: -106.622662
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -144.178182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.178182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.178182 (E_RNA)
where:
Base-Base interactions energy: -57.273
where: short stacking energy: -40.518
Base-Backbone interact. energy: -0.681
local terms energy: -86.224688
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -26.759
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -13.689
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: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -130.515924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.515924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.515924 (E_RNA)
where:
Base-Base interactions energy: -45.272
where: short stacking energy: -38.575
Base-Backbone interact. energy: -0.549
local terms energy: -84.695642
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -126.140904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.140904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.140904 (E_RNA)
where:
Base-Base interactions energy: -45.863
where: short stacking energy: -45.863
Base-Backbone interact. energy: -0.269
local terms energy: -80.008987
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -112.382357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.382357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.382357 (E_RNA)
where:
Base-Base interactions energy: -31.439
where: short stacking energy: -31.439
Base-Backbone interact. energy: -0.535
local terms energy: -80.408449
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -26.436
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: 0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -374.480537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.480537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.480537 (E_RNA)
where:
Base-Base interactions energy: -249.180
where: short stacking energy: -109.845
Base-Backbone interact. energy: 0.150
local terms energy: -125.450341
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -24.152
tors. eta vs tors. theta energy: -34.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -327.389652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.389652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.389652 (E_RNA)
where:
Base-Base interactions energy: -209.946
where: short stacking energy: -104.259
Base-Backbone interact. energy: -0.035
local terms energy: -117.408594
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -22.683
flat angles C4'-P-C4' energy: -26.324
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -30.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -301.494417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.494417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.494417 (E_RNA)
where:
Base-Base interactions energy: -194.873
where: short stacking energy: -88.271
Base-Backbone interact. energy: -0.907
local terms energy: -105.714385
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -319.629952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.629952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.629952 (E_RNA)
where:
Base-Base interactions energy: -208.550
where: short stacking energy: -95.069
Base-Backbone interact. energy: -0.167
local terms energy: -110.913642
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -28.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -293.301121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.301121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.301121 (E_RNA)
where:
Base-Base interactions energy: -190.573
where: short stacking energy: -91.618
Base-Backbone interact. energy: 0.553
local terms energy: -103.281076
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -25.404
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -255.448061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.448061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.448061 (E_RNA)
where:
Base-Base interactions energy: -159.322
where: short stacking energy: -90.016
Base-Backbone interact. energy: -0.307
local terms energy: -95.819585
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -21.194
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: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -157.589543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.589543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.589543 (E_RNA)
where:
Base-Base interactions energy: -65.653
where: short stacking energy: -53.137
Base-Backbone interact. energy: -0.608
local terms energy: -91.328400
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -10.928
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: 52
Temperature: 1.250000
Total energy: -144.595112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.595112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.595112 (E_RNA)
where:
Base-Base interactions energy: -61.160
where: short stacking energy: -47.936
Base-Backbone interact. energy: -0.132
local terms energy: -83.303840
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -110.830093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.830093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.830093 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -34.676
Base-Backbone interact. energy: -0.142
local terms energy: -72.366378
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: 1.004
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: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -131.377682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.377682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.377682 (E_RNA)
where:
Base-Base interactions energy: -52.858
where: short stacking energy: -42.261
Base-Backbone interact. energy: -0.341
local terms energy: -78.178103
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -368.592259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.592259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.592259 (E_RNA)
where:
Base-Base interactions energy: -244.386
where: short stacking energy: -96.145
Base-Backbone interact. energy: -0.088
local terms energy: -124.118070
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -32.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -311.337351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.337351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.337351 (E_RNA)
where:
Base-Base interactions energy: -195.597
where: short stacking energy: -89.844
Base-Backbone interact. energy: -0.162
local terms energy: -115.578293
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -27.978
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: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -321.027980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.027980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.027980 (E_RNA)
where:
Base-Base interactions energy: -214.676
where: short stacking energy: -106.903
Base-Backbone interact. energy: -0.196
local terms energy: -106.156365
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -31.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -339.152852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.152852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.152852 (E_RNA)
where:
Base-Base interactions energy: -229.473
where: short stacking energy: -102.088
Base-Backbone interact. energy: -0.220
local terms energy: -109.459996
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -28.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -286.338068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.338068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.338068 (E_RNA)
where:
Base-Base interactions energy: -179.036
where: short stacking energy: -78.319
Base-Backbone interact. energy: -0.624
local terms energy: -106.677900
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -12.199
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: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -241.900211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.900211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.900211 (E_RNA)
where:
Base-Base interactions energy: -139.058
where: short stacking energy: -76.180
Base-Backbone interact. energy: -0.778
local terms energy: -102.064357
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -13.874
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: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -147.051008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.051008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.051008 (E_RNA)
where:
Base-Base interactions energy: -72.421
where: short stacking energy: -58.546
Base-Backbone interact. energy: -0.130
local terms energy: -74.499977
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -145.231260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.231260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.231260 (E_RNA)
where:
Base-Base interactions energy: -69.535
where: short stacking energy: -51.140
Base-Backbone interact. energy: 0.888
local terms energy: -76.584631
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -122.141965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.141965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.141965 (E_RNA)
where:
Base-Base interactions energy: -49.007
where: short stacking energy: -44.837
Base-Backbone interact. energy: 0.926
local terms energy: -74.060889
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -115.411173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.411173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.411173 (E_RNA)
where:
Base-Base interactions energy: -63.879
where: short stacking energy: -28.061
Base-Backbone interact. energy: 0.066
local terms energy: -51.598180
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -4.892
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: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -376.497010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.497010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.497010 (E_RNA)
where:
Base-Base interactions energy: -254.989
where: short stacking energy: -112.617
Base-Backbone interact. energy: -0.154
local terms energy: -121.353985
where:
bonds (distance) C4'-P energy: -25.404
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -31.302
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: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -314.970485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.970485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.970485 (E_RNA)
where:
Base-Base interactions energy: -189.033
where: short stacking energy: -91.989
Base-Backbone interact. energy: -0.150
local terms energy: -125.787373
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -28.481
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -31.001
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: 54
Temperature: 1.000000
Total energy: -338.001219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.001219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.001219 (E_RNA)
where:
Base-Base interactions energy: -216.389
where: short stacking energy: -92.549
Base-Backbone interact. energy: -0.030
local terms energy: -121.582193
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -306.873531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.873531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.873531 (E_RNA)
where:
Base-Base interactions energy: -197.904
where: short stacking energy: -95.948
Base-Backbone interact. energy: 0.047
local terms energy: -109.015837
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -28.344
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: 54
Temperature: 1.100000
Total energy: -279.848374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.848374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.848374 (E_RNA)
where:
Base-Base interactions energy: -186.924
where: short stacking energy: -76.663
Base-Backbone interact. energy: -0.328
local terms energy: -92.596389
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -251.165697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.165697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.165697 (E_RNA)
where:
Base-Base interactions energy: -152.496
where: short stacking energy: -87.538
Base-Backbone interact. energy: 0.214
local terms energy: -98.883460
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -139.119212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.119212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.119212 (E_RNA)
where:
Base-Base interactions energy: -51.722
where: short stacking energy: -46.513
Base-Backbone interact. energy: -0.741
local terms energy: -86.656110
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -6.100
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: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -132.611413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.611413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.611413 (E_RNA)
where:
Base-Base interactions energy: -52.741
where: short stacking energy: -42.737
Base-Backbone interact. energy: -0.119
local terms energy: -79.751831
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -6.508
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: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -123.582798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.582798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.582798 (E_RNA)
where:
Base-Base interactions energy: -49.847
where: short stacking energy: -32.609
Base-Backbone interact. energy: -0.361
local terms energy: -73.374485
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -23.016
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -13.217
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: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -116.608976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.608976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.608976 (E_RNA)
where:
Base-Base interactions energy: -42.613
where: short stacking energy: -31.606
Base-Backbone interact. energy: -0.762
local terms energy: -73.234238
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -13.186
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: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -367.774393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.774393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.774393 (E_RNA)
where:
Base-Base interactions energy: -244.661
where: short stacking energy: -110.777
Base-Backbone interact. energy: -0.002
local terms energy: -123.111381
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -34.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -339.337318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.337318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.337318 (E_RNA)
where:
Base-Base interactions energy: -218.303
where: short stacking energy: -97.911
Base-Backbone interact. energy: -0.005
local terms energy: -121.028943
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -18.336
tors. eta vs tors. theta energy: -28.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -309.143569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.143569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.143569 (E_RNA)
where:
Base-Base interactions energy: -198.245
where: short stacking energy: -89.451
Base-Backbone interact. energy: -0.172
local terms energy: -110.726725
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -23.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -313.371195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.371195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.371195 (E_RNA)
where:
Base-Base interactions energy: -205.363
where: short stacking energy: -92.719
Base-Backbone interact. energy: 0.719
local terms energy: -108.726733
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -285.387870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.387870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.387870 (E_RNA)
where:
Base-Base interactions energy: -188.527
where: short stacking energy: -77.368
Base-Backbone interact. energy: -0.268
local terms energy: -96.592880
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -237.399337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.399337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.399337 (E_RNA)
where:
Base-Base interactions energy: -136.005
where: short stacking energy: -70.884
Base-Backbone interact. energy: -0.216
local terms energy: -101.179005
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -132.484049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.484049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.484049 (E_RNA)
where:
Base-Base interactions energy: -57.743
where: short stacking energy: -38.640
Base-Backbone interact. energy: -1.135
local terms energy: -73.606472
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -132.181414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.181414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.181414 (E_RNA)
where:
Base-Base interactions energy: -51.255
where: short stacking energy: -40.282
Base-Backbone interact. energy: -0.339
local terms energy: -80.587772
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -1.767
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: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -119.234565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.234565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.234565 (E_RNA)
where:
Base-Base interactions energy: -42.343
where: short stacking energy: -35.096
Base-Backbone interact. energy: -1.062
local terms energy: -75.830115
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -110.817871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.817871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.817871 (E_RNA)
where:
Base-Base interactions energy: -44.128
where: short stacking energy: -39.412
Base-Backbone interact. energy: -0.588
local terms energy: -66.102548
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -357.935056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.935056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.935056 (E_RNA)
where:
Base-Base interactions energy: -237.998
where: short stacking energy: -105.805
Base-Backbone interact. energy: -0.439
local terms energy: -119.497321
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -25.081
flat angles P-C4'-P energy: -19.508
tors. eta vs tors. theta energy: -29.921
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: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -360.988072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.988072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.988072 (E_RNA)
where:
Base-Base interactions energy: -237.755
where: short stacking energy: -111.602
Base-Backbone interact. energy: -0.156
local terms energy: -123.076758
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -24.562
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -35.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -331.705308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.705308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.705308 (E_RNA)
where:
Base-Base interactions energy: -206.601
where: short stacking energy: -94.969
Base-Backbone interact. energy: -0.107
local terms energy: -124.997728
where:
bonds (distance) C4'-P energy: -28.971
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -30.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -301.211257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.211257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.211257 (E_RNA)
where:
Base-Base interactions energy: -197.743
where: short stacking energy: -93.895
Base-Backbone interact. energy: 0.473
local terms energy: -103.941012
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -23.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -201.440404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.440404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.440404 (E_RNA)
where:
Base-Base interactions energy: -103.997
where: short stacking energy: -67.678
Base-Backbone interact. energy: 0.150
local terms energy: -97.593009
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -17.932
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: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -304.180694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.180694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.180694 (E_RNA)
where:
Base-Base interactions energy: -209.839
where: short stacking energy: -93.827
Base-Backbone interact. energy: 1.696
local terms energy: -96.037352
where:
bonds (distance) C4'-P energy: -26.329
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -26.637
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -138.960398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.960398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.960398 (E_RNA)
where:
Base-Base interactions energy: -59.887
where: short stacking energy: -38.807
Base-Backbone interact. energy: -0.128
local terms energy: -78.945880
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -172.406701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.406701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.406701 (E_RNA)
where:
Base-Base interactions energy: -83.122
where: short stacking energy: -52.033
Base-Backbone interact. energy: 0.556
local terms energy: -89.840629
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -121.279135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.279135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.279135 (E_RNA)
where:
Base-Base interactions energy: -51.220
where: short stacking energy: -31.475
Base-Backbone interact. energy: 0.208
local terms energy: -70.267209
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -111.158305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.158305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.158305 (E_RNA)
where:
Base-Base interactions energy: -36.386
where: short stacking energy: -28.633
Base-Backbone interact. energy: 0.724
local terms energy: -75.495688
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: 3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -359.185657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.185657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.185657 (E_RNA)
where:
Base-Base interactions energy: -236.547
where: short stacking energy: -103.172
Base-Backbone interact. energy: -0.223
local terms energy: -122.415861
where:
bonds (distance) C4'-P energy: -25.136
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -31.975
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: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -355.254727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.254727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.254727 (E_RNA)
where:
Base-Base interactions energy: -234.380
where: short stacking energy: -101.865
Base-Backbone interact. energy: -0.117
local terms energy: -120.757914
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -31.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -354.646698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.646698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.646698 (E_RNA)
where:
Base-Base interactions energy: -239.902
where: short stacking energy: -93.107
Base-Backbone interact. energy: -0.331
local terms energy: -114.413871
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -24.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -294.152187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.152187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.152187 (E_RNA)
where:
Base-Base interactions energy: -185.315
where: short stacking energy: -82.293
Base-Backbone interact. energy: -0.267
local terms energy: -108.570038
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -17.326
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -193.148722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.148722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.148722 (E_RNA)
where:
Base-Base interactions energy: -109.730
where: short stacking energy: -64.023
Base-Backbone interact. energy: -0.669
local terms energy: -82.749061
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -15.366
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: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -257.165862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.165862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.165862 (E_RNA)
where:
Base-Base interactions energy: -174.095
where: short stacking energy: -81.014
Base-Backbone interact. energy: -0.102
local terms energy: -82.968766
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -16.543
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: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -128.026275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.026275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.026275 (E_RNA)
where:
Base-Base interactions energy: -53.362
where: short stacking energy: -40.960
Base-Backbone interact. energy: 0.941
local terms energy: -75.605830
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -175.205144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.205144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.205144 (E_RNA)
where:
Base-Base interactions energy: -87.554
where: short stacking energy: -48.710
Base-Backbone interact. energy: -0.657
local terms energy: -86.993379
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -6.427
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: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -129.901161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.901161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.901161 (E_RNA)
where:
Base-Base interactions energy: -52.628
where: short stacking energy: -42.172
Base-Backbone interact. energy: -0.158
local terms energy: -77.114921
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -124.070118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.070118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.070118 (E_RNA)
where:
Base-Base interactions energy: -42.070
where: short stacking energy: -39.637
Base-Backbone interact. energy: -1.185
local terms energy: -80.814344
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -365.345503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.345503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.345503 (E_RNA)
where:
Base-Base interactions energy: -241.191
where: short stacking energy: -112.360
Base-Backbone interact. energy: -0.141
local terms energy: -124.014064
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -35.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -346.913379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.913379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.913379 (E_RNA)
where:
Base-Base interactions energy: -234.766
where: short stacking energy: -87.390
Base-Backbone interact. energy: -0.718
local terms energy: -111.428736
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -348.672056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.672056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.672056 (E_RNA)
where:
Base-Base interactions energy: -240.364
where: short stacking energy: -94.469
Base-Backbone interact. energy: -0.336
local terms energy: -107.971578
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -26.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -294.924047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.924047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.924047 (E_RNA)
where:
Base-Base interactions energy: -194.148
where: short stacking energy: -81.137
Base-Backbone interact. energy: 2.764
local terms energy: -103.540098
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -25.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -269.906761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.906761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.906761 (E_RNA)
where:
Base-Base interactions energy: -166.426
where: short stacking energy: -79.655
Base-Backbone interact. energy: -0.099
local terms energy: -103.381191
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -205.611617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.611617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.611617 (E_RNA)
where:
Base-Base interactions energy: -124.792
where: short stacking energy: -58.669
Base-Backbone interact. energy: -0.724
local terms energy: -80.094967
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -183.230247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.230247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.230247 (E_RNA)
where:
Base-Base interactions energy: -87.620
where: short stacking energy: -51.921
Base-Backbone interact. energy: -0.914
local terms energy: -94.696649
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -26.159
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -132.701361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.701361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.701361 (E_RNA)
where:
Base-Base interactions energy: -51.026
where: short stacking energy: -40.552
Base-Backbone interact. energy: -0.465
local terms energy: -81.210634
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -4.615
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: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -113.981658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.981658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.981658 (E_RNA)
where:
Base-Base interactions energy: -34.202
where: short stacking energy: -24.232
Base-Backbone interact. energy: -0.404
local terms energy: -79.375523
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -26.029
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: 1.776
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: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -118.475337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.475337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.475337 (E_RNA)
where:
Base-Base interactions energy: -55.006
where: short stacking energy: -44.435
Base-Backbone interact. energy: 0.683
local terms energy: -64.152338
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -8.922
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: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -362.833799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.833799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.833799 (E_RNA)
where:
Base-Base interactions energy: -245.943
where: short stacking energy: -108.760
Base-Backbone interact. energy: -0.013
local terms energy: -116.877900
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -32.708
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: 59
Temperature: 0.950000
Total energy: -339.463985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.463985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.463985 (E_RNA)
where:
Base-Base interactions energy: -223.627
where: short stacking energy: -100.156
Base-Backbone interact. energy: 1.194
local terms energy: -117.030388
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -27.569
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: 9
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -349.107726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.107726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.107726 (E_RNA)
where:
Base-Base interactions energy: -231.326
where: short stacking energy: -100.875
Base-Backbone interact. energy: -1.877
local terms energy: -115.904741
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -26.103
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: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -295.131165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.131165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.131165 (E_RNA)
where:
Base-Base interactions energy: -183.139
where: short stacking energy: -72.158
Base-Backbone interact. energy: -1.371
local terms energy: -110.621288
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -24.491
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -296.808602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.808602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.808602 (E_RNA)
where:
Base-Base interactions energy: -194.586
where: short stacking energy: -93.161
Base-Backbone interact. energy: 1.329
local terms energy: -103.551753
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -188.076780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.076780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.076780 (E_RNA)
where:
Base-Base interactions energy: -102.270
where: short stacking energy: -55.080
Base-Backbone interact. energy: -0.387
local terms energy: -85.419485
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -23.894
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -6.622
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: 59
Temperature: 1.200000
Total energy: -211.606654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.606654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.606654 (E_RNA)
where:
Base-Base interactions energy: -124.266
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.118
local terms energy: -87.222279
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -114.191659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.191659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.191659 (E_RNA)
where:
Base-Base interactions energy: -40.259
where: short stacking energy: -39.544
Base-Backbone interact. energy: 1.482
local terms energy: -75.414879
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -124.836538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.836538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.836538 (E_RNA)
where:
Base-Base interactions energy: -47.681
where: short stacking energy: -34.270
Base-Backbone interact. energy: -0.113
local terms energy: -77.041685
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -23.316
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -11.489
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: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -127.350247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.350247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.350247 (E_RNA)
where:
Base-Base interactions energy: -41.563
where: short stacking energy: -41.563
Base-Backbone interact. energy: -0.367
local terms energy: -85.420079
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -16.709
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: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -358.975019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.975019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.975019 (E_RNA)
where:
Base-Base interactions energy: -233.123
where: short stacking energy: -100.848
Base-Backbone interact. energy: -1.063
local terms energy: -124.788734
where:
bonds (distance) C4'-P energy: -26.697
bonds (distance) P-C4' energy: -29.911
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -29.678
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: 60
Temperature: 0.950000
Total energy: -339.481473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.481473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.481473 (E_RNA)
where:
Base-Base interactions energy: -221.265
where: short stacking energy: -101.625
Base-Backbone interact. energy: 0.443
local terms energy: -118.659261
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -28.494
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -27.850
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: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -358.196297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.196297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.196297 (E_RNA)
where:
Base-Base interactions energy: -237.457
where: short stacking energy: -117.677
Base-Backbone interact. energy: -1.036
local terms energy: -119.703256
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -33.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -313.977621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.977621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.977621 (E_RNA)
where:
Base-Base interactions energy: -206.448
where: short stacking energy: -98.881
Base-Backbone interact. energy: 1.876
local terms energy: -109.406011
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -283.144684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.144684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.144684 (E_RNA)
where:
Base-Base interactions energy: -176.164
where: short stacking energy: -78.830
Base-Backbone interact. energy: -1.226
local terms energy: -105.754734
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -18.690
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: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -183.787518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.787518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.787518 (E_RNA)
where:
Base-Base interactions energy: -96.959
where: short stacking energy: -61.354
Base-Backbone interact. energy: 1.839
local terms energy: -88.668021
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -4.951
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: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -140.480965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.480965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.480965 (E_RNA)
where:
Base-Base interactions energy: -71.513
where: short stacking energy: -26.602
Base-Backbone interact. energy: -0.330
local terms energy: -68.638421
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.902
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: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -122.403174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.403174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.403174 (E_RNA)
where:
Base-Base interactions energy: -40.364
where: short stacking energy: -27.798
Base-Backbone interact. energy: -0.013
local terms energy: -82.026583
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: 1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -153.058809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.058809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.058809 (E_RNA)
where:
Base-Base interactions energy: -62.589
where: short stacking energy: -48.892
Base-Backbone interact. energy: -0.668
local terms energy: -89.800984
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -99.823243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.823243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.823243 (E_RNA)
where:
Base-Base interactions energy: -26.447
where: short stacking energy: -25.950
Base-Backbone interact. energy: -0.405
local terms energy: -72.971534
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -9.837
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: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -366.155671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.155671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.155671 (E_RNA)
where:
Base-Base interactions energy: -242.760
where: short stacking energy: -101.718
Base-Backbone interact. energy: -0.078
local terms energy: -123.317514
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -30.759
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: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -325.092999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.092999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.092999 (E_RNA)
where:
Base-Base interactions energy: -202.071
where: short stacking energy: -102.000
Base-Backbone interact. energy: -0.687
local terms energy: -122.334756
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -29.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -351.202376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.202376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.202376 (E_RNA)
where:
Base-Base interactions energy: -236.634
where: short stacking energy: -97.834
Base-Backbone interact. energy: -0.133
local terms energy: -114.435069
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -26.280
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -29.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -296.180794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.180794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.180794 (E_RNA)
where:
Base-Base interactions energy: -182.848
where: short stacking energy: -87.883
Base-Backbone interact. energy: 0.185
local terms energy: -113.517851
where:
bonds (distance) C4'-P energy: -23.217
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -26.834
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: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -277.400424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.400424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.400424 (E_RNA)
where:
Base-Base interactions energy: -177.935
where: short stacking energy: -76.990
Base-Backbone interact. energy: -0.360
local terms energy: -99.105499
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -149.236774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.236774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.236774 (E_RNA)
where:
Base-Base interactions energy: -76.716
where: short stacking energy: -41.393
Base-Backbone interact. energy: -0.537
local terms energy: -71.983390
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -209.838521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.838521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.838521 (E_RNA)
where:
Base-Base interactions energy: -126.292
where: short stacking energy: -53.952
Base-Backbone interact. energy: 0.131
local terms energy: -83.677713
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -25.730
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -6.436
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: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -135.442230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.442230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.442230 (E_RNA)
where:
Base-Base interactions energy: -60.122
where: short stacking energy: -54.071
Base-Backbone interact. energy: -0.070
local terms energy: -75.249996
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -120.774134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.774134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.774134 (E_RNA)
where:
Base-Base interactions energy: -40.689
where: short stacking energy: -31.260
Base-Backbone interact. energy: -1.677
local terms energy: -78.407296
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -26.180
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -4.962
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: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -122.140209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.140209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.140209 (E_RNA)
where:
Base-Base interactions energy: -52.024
where: short stacking energy: -34.071
Base-Backbone interact. energy: -0.330
local terms energy: -69.785634
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -0.602
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: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -370.468519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.468519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.468519 (E_RNA)
where:
Base-Base interactions energy: -246.716
where: short stacking energy: -102.653
Base-Backbone interact. energy: -0.245
local terms energy: -123.508059
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -27.874
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -32.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -336.776992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.776992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.776992 (E_RNA)
where:
Base-Base interactions energy: -210.667
where: short stacking energy: -113.015
Base-Backbone interact. energy: -0.200
local terms energy: -125.910141
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -36.289
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: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -333.146575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.146575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.146575 (E_RNA)
where:
Base-Base interactions energy: -219.463
where: short stacking energy: -99.199
Base-Backbone interact. energy: -0.097
local terms energy: -113.586389
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -31.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -295.962276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.962276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.962276 (E_RNA)
where:
Base-Base interactions energy: -185.542
where: short stacking energy: -95.089
Base-Backbone interact. energy: -0.224
local terms energy: -110.196145
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -28.052
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: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -289.579570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.579570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.579570 (E_RNA)
where:
Base-Base interactions energy: -189.948
where: short stacking energy: -77.919
Base-Backbone interact. energy: -0.737
local terms energy: -98.895302
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -22.667
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -185.866356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.866356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.866356 (E_RNA)
where:
Base-Base interactions energy: -90.493
where: short stacking energy: -67.930
Base-Backbone interact. energy: -0.300
local terms energy: -95.073566
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -11.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -127.624303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.624303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.624303 (E_RNA)
where:
Base-Base interactions energy: -44.710
where: short stacking energy: -42.796
Base-Backbone interact. energy: 0.902
local terms energy: -83.816200
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -14.499
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: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -173.292770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.292770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.292770 (E_RNA)
where:
Base-Base interactions energy: -88.672
where: short stacking energy: -52.037
Base-Backbone interact. energy: -0.044
local terms energy: -84.576504
where:
bonds (distance) C4'-P energy: -25.525
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -16.175
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: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -116.214449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.214449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.214449 (E_RNA)
where:
Base-Base interactions energy: -39.345
where: short stacking energy: -24.382
Base-Backbone interact. energy: -0.327
local terms energy: -76.542016
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -11.954
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: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -108.690625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.690625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.690625 (E_RNA)
where:
Base-Base interactions energy: -43.573
where: short stacking energy: -26.002
Base-Backbone interact. energy: 1.163
local terms energy: -66.280037
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: 6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -361.127446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.127446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.127446 (E_RNA)
where:
Base-Base interactions energy: -239.449
where: short stacking energy: -96.349
Base-Backbone interact. energy: -0.303
local terms energy: -121.374992
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -25.549
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -29.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -367.854891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.854891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.854891 (E_RNA)
where:
Base-Base interactions energy: -242.527
where: short stacking energy: -105.189
Base-Backbone interact. energy: -0.913
local terms energy: -124.414303
where:
bonds (distance) C4'-P energy: -24.798
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -31.376
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: 63
Temperature: 1.000000
Total energy: -317.179391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.179391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.179391 (E_RNA)
where:
Base-Base interactions energy: -201.936
where: short stacking energy: -96.233
Base-Backbone interact. energy: -0.279
local terms energy: -114.964147
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -25.758
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -29.118
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: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -297.341099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.341099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.341099 (E_RNA)
where:
Base-Base interactions energy: -190.674
where: short stacking energy: -69.620
Base-Backbone interact. energy: -0.236
local terms energy: -106.431017
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -16.592
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: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -293.850000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.850000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.850000 (E_RNA)
where:
Base-Base interactions energy: -182.656
where: short stacking energy: -81.268
Base-Backbone interact. energy: 0.768
local terms energy: -111.961520
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -23.201
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: 63
Temperature: 1.150000
Total energy: -213.160188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.160188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.160188 (E_RNA)
where:
Base-Base interactions energy: -130.865
where: short stacking energy: -51.021
Base-Backbone interact. energy: -1.206
local terms energy: -81.089914
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -13.504
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: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -137.111310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.111310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.111310 (E_RNA)
where:
Base-Base interactions energy: -55.412
where: short stacking energy: -47.994
Base-Backbone interact. energy: 0.074
local terms energy: -81.773497
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -18.257
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -127.718071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.718071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.718071 (E_RNA)
where:
Base-Base interactions energy: -43.763
where: short stacking energy: -39.377
Base-Backbone interact. energy: -0.199
local terms energy: -83.756436
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -14.647
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: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -154.784864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.784864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.784864 (E_RNA)
where:
Base-Base interactions energy: -82.190
where: short stacking energy: -53.268
Base-Backbone interact. energy: -0.415
local terms energy: -72.179934
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -6.799
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: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -127.753144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.753144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.753144 (E_RNA)
where:
Base-Base interactions energy: -44.329
where: short stacking energy: -35.117
Base-Backbone interact. energy: -0.479
local terms energy: -82.945599
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -370.480806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.480806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.480806 (E_RNA)
where:
Base-Base interactions energy: -240.991
where: short stacking energy: -108.950
Base-Backbone interact. energy: -0.564
local terms energy: -128.926293
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -24.885
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -32.848
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: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -342.694709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.694709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.694709 (E_RNA)
where:
Base-Base interactions energy: -224.543
where: short stacking energy: -99.836
Base-Backbone interact. energy: -0.085
local terms energy: -118.067318
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -32.682
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: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -303.056148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.056148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.056148 (E_RNA)
where:
Base-Base interactions energy: -175.618
where: short stacking energy: -91.448
Base-Backbone interact. energy: -0.053
local terms energy: -127.385013
where:
bonds (distance) C4'-P energy: -27.162
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -30.493
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -25.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -302.297675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.297675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.297675 (E_RNA)
where:
Base-Base interactions energy: -198.203
where: short stacking energy: -92.585
Base-Backbone interact. energy: -0.869
local terms energy: -103.226573
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -25.992
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: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -293.253951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.253951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.253951 (E_RNA)
where:
Base-Base interactions energy: -175.186
where: short stacking energy: -87.278
Base-Backbone interact. energy: -0.003
local terms energy: -118.064936
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -28.825
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -25.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -233.906202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.906202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.906202 (E_RNA)
where:
Base-Base interactions energy: -131.682
where: short stacking energy: -73.796
Base-Backbone interact. energy: -0.747
local terms energy: -101.477467
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -132.808468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.808468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.808468 (E_RNA)
where:
Base-Base interactions energy: -48.126
where: short stacking energy: -45.619
Base-Backbone interact. energy: -0.427
local terms energy: -84.255648
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -127.916184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.916184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.916184 (E_RNA)
where:
Base-Base interactions energy: -42.974
where: short stacking energy: -35.437
Base-Backbone interact. energy: -0.522
local terms energy: -84.420258
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -14.108
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: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -121.480799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.480799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.480799 (E_RNA)
where:
Base-Base interactions energy: -36.344
where: short stacking energy: -31.212
Base-Backbone interact. energy: -0.471
local terms energy: -84.665548
where:
bonds (distance) C4'-P energy: -27.244
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -106.265849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.265849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.265849 (E_RNA)
where:
Base-Base interactions energy: -38.894
where: short stacking energy: -29.773
Base-Backbone interact. energy: 0.205
local terms energy: -67.576977
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -375.948633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.948633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.948633 (E_RNA)
where:
Base-Base interactions energy: -250.933
where: short stacking energy: -105.045
Base-Backbone interact. energy: -0.750
local terms energy: -124.265588
where:
bonds (distance) C4'-P energy: -26.000
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -29.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -350.595923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.595923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.595923 (E_RNA)
where:
Base-Base interactions energy: -228.782
where: short stacking energy: -94.372
Base-Backbone interact. energy: -1.756
local terms energy: -120.058268
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -27.173
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -28.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -320.195841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.195841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.195841 (E_RNA)
where:
Base-Base interactions energy: -200.100
where: short stacking energy: -97.993
Base-Backbone interact. energy: -1.100
local terms energy: -118.996013
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -30.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -295.704264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.704264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.704264 (E_RNA)
where:
Base-Base interactions energy: -201.270
where: short stacking energy: -103.030
Base-Backbone interact. energy: 0.197
local terms energy: -94.631636
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -274.804343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.804343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.804343 (E_RNA)
where:
Base-Base interactions energy: -180.268
where: short stacking energy: -91.122
Base-Backbone interact. energy: -0.391
local terms energy: -94.145351
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -24.009
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: -239.313654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.313654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.313654 (E_RNA)
where:
Base-Base interactions energy: -149.354
where: short stacking energy: -53.214
Base-Backbone interact. energy: -1.738
local terms energy: -88.221259
where:
bonds (distance) C4'-P energy: -26.918
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -147.955626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.955626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.955626 (E_RNA)
where:
Base-Base interactions energy: -59.958
where: short stacking energy: -40.590
Base-Backbone interact. energy: -0.722
local terms energy: -87.274913
where:
bonds (distance) C4'-P energy: -28.462
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: 0.354
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: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -137.527159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.527159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.527159 (E_RNA)
where:
Base-Base interactions energy: -55.627
where: short stacking energy: -50.310
Base-Backbone interact. energy: 1.709
local terms energy: -83.609339
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -12.000
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: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -115.736368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.736368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.736368 (E_RNA)
where:
Base-Base interactions energy: -51.004
where: short stacking energy: -35.924
Base-Backbone interact. energy: -0.230
local terms energy: -64.502467
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -11.384
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: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -109.994835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.994835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.994835 (E_RNA)
where:
Base-Base interactions energy: -35.968
where: short stacking energy: -31.374
Base-Backbone interact. energy: 2.359
local terms energy: -76.385132
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: 3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -361.949090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.949090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.949090 (E_RNA)
where:
Base-Base interactions energy: -236.719
where: short stacking energy: -97.819
Base-Backbone interact. energy: -1.221
local terms energy: -124.008877
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -30.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -361.649900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.649900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.649900 (E_RNA)
where:
Base-Base interactions energy: -236.975
where: short stacking energy: -106.470
Base-Backbone interact. energy: -0.141
local terms energy: -124.534185
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -27.266
flat angles C4'-P-C4' energy: -26.087
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -30.697
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: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -313.824814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.824814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.824814 (E_RNA)
where:
Base-Base interactions energy: -200.991
where: short stacking energy: -96.611
Base-Backbone interact. energy: -0.067
local terms energy: -112.766269
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -27.082
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -22.714
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: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -291.206164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.206164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.206164 (E_RNA)
where:
Base-Base interactions energy: -193.752
where: short stacking energy: -88.807
Base-Backbone interact. energy: -0.422
local terms energy: -97.032638
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -275.088862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.088862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.088862 (E_RNA)
where:
Base-Base interactions energy: -173.004
where: short stacking energy: -77.918
Base-Backbone interact. energy: -1.398
local terms energy: -100.686623
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -299.274392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.274392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.274392 (E_RNA)
where:
Base-Base interactions energy: -189.368
where: short stacking energy: -75.642
Base-Backbone interact. energy: -0.698
local terms energy: -109.209009
where:
bonds (distance) C4'-P energy: -24.251
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -25.977
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: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -130.804108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.804108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.804108 (E_RNA)
where:
Base-Base interactions energy: -52.256
where: short stacking energy: -39.917
Base-Backbone interact. energy: -0.120
local terms energy: -78.427620
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -116.804499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.804499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.804499 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -37.655
Base-Backbone interact. energy: -1.486
local terms energy: -77.663170
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: 1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -143.894682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.894682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.894682 (E_RNA)
where:
Base-Base interactions energy: -65.239
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.347
local terms energy: -78.308364
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -111.178130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.178130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.178130 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.562
local terms energy: -76.376175
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: 5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -376.653356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.653356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.653356 (E_RNA)
where:
Base-Base interactions energy: -253.903
where: short stacking energy: -118.068
Base-Backbone interact. energy: 0.263
local terms energy: -123.012832
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -25.933
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -31.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -351.805629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.805629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.805629 (E_RNA)
where:
Base-Base interactions energy: -229.679
where: short stacking energy: -99.374
Base-Backbone interact. energy: -0.186
local terms energy: -121.941224
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -25.166
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -28.776
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: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -319.011193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.011193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.011193 (E_RNA)
where:
Base-Base interactions energy: -205.694
where: short stacking energy: -99.804
Base-Backbone interact. energy: -0.259
local terms energy: -113.059031
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -27.052
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: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -301.068449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.068449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.068449 (E_RNA)
where:
Base-Base interactions energy: -202.478
where: short stacking energy: -83.451
Base-Backbone interact. energy: -0.333
local terms energy: -98.257933
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -14.391
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: 67
Temperature: 1.100000
Total energy: -275.428155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.428155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.428155 (E_RNA)
where:
Base-Base interactions energy: -179.558
where: short stacking energy: -94.474
Base-Backbone interact. energy: 2.514
local terms energy: -98.384224
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -283.451616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.451616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.451616 (E_RNA)
where:
Base-Base interactions energy: -185.232
where: short stacking energy: -75.743
Base-Backbone interact. energy: 0.959
local terms energy: -99.178199
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -150.534889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.534889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.534889 (E_RNA)
where:
Base-Base interactions energy: -62.826
where: short stacking energy: -44.068
Base-Backbone interact. energy: 1.974
local terms energy: -89.683113
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -28.375
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -143.275760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.275760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.275760 (E_RNA)
where:
Base-Base interactions energy: -60.449
where: short stacking energy: -52.386
Base-Backbone interact. energy: -0.558
local terms energy: -82.267937
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -129.692273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.692273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.692273 (E_RNA)
where:
Base-Base interactions energy: -54.108
where: short stacking energy: -51.953
Base-Backbone interact. energy: -0.576
local terms energy: -75.008595
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -13.101
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: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -110.641585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.641585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.641585 (E_RNA)
where:
Base-Base interactions energy: -43.569
where: short stacking energy: -35.114
Base-Backbone interact. energy: -0.147
local terms energy: -66.926318
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -378.465928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.465928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.465928 (E_RNA)
where:
Base-Base interactions energy: -249.673
where: short stacking energy: -103.529
Base-Backbone interact. energy: -0.876
local terms energy: -127.916462
where:
bonds (distance) C4'-P energy: -27.464
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -31.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -345.614950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.614950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.614950 (E_RNA)
where:
Base-Base interactions energy: -229.486
where: short stacking energy: -94.984
Base-Backbone interact. energy: -0.567
local terms energy: -115.561241
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -25.157
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -314.620643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.620643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.620643 (E_RNA)
where:
Base-Base interactions energy: -191.950
where: short stacking energy: -91.560
Base-Backbone interact. energy: -0.127
local terms energy: -122.544091
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -26.805
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: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -311.843578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.843578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.843578 (E_RNA)
where:
Base-Base interactions energy: -202.047
where: short stacking energy: -93.341
Base-Backbone interact. energy: -0.260
local terms energy: -109.536503
where:
bonds (distance) C4'-P energy: -23.358
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -287.660699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.660699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.660699 (E_RNA)
where:
Base-Base interactions energy: -194.997
where: short stacking energy: -81.681
Base-Backbone interact. energy: -0.887
local terms energy: -91.777428
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -264.627450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.627450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.627450 (E_RNA)
where:
Base-Base interactions energy: -165.514
where: short stacking energy: -66.613
Base-Backbone interact. energy: -0.485
local terms energy: -98.627998
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -25.088
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -13.822
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: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -151.269610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.269610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.269610 (E_RNA)
where:
Base-Base interactions energy: -65.411
where: short stacking energy: -45.332
Base-Backbone interact. energy: -0.270
local terms energy: -85.588592
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -25.871
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -127.359798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.359798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.359798 (E_RNA)
where:
Base-Base interactions energy: -51.459
where: short stacking energy: -37.884
Base-Backbone interact. energy: 1.411
local terms energy: -77.312300
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -123.225300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.225300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.225300 (E_RNA)
where:
Base-Base interactions energy: -58.378
where: short stacking energy: -40.326
Base-Backbone interact. energy: -0.124
local terms energy: -64.723294
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -8.950
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: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -111.627183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.627183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.627183 (E_RNA)
where:
Base-Base interactions energy: -47.645
where: short stacking energy: -40.216
Base-Backbone interact. energy: -0.437
local terms energy: -63.545870
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: 4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -383.880006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.880006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.880006 (E_RNA)
where:
Base-Base interactions energy: -253.680
where: short stacking energy: -108.043
Base-Backbone interact. energy: -1.256
local terms energy: -128.943341
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -25.566
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -33.312
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: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -366.784717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.784717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.784717 (E_RNA)
where:
Base-Base interactions energy: -239.608
where: short stacking energy: -108.364
Base-Backbone interact. energy: -0.199
local terms energy: -126.978094
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -35.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -305.575516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.575516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.575516 (E_RNA)
where:
Base-Base interactions energy: -179.142
where: short stacking energy: -89.630
Base-Backbone interact. energy: -0.014
local terms energy: -126.420017
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -28.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -293.046264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.046264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.046264 (E_RNA)
where:
Base-Base interactions energy: -182.835
where: short stacking energy: -90.712
Base-Backbone interact. energy: -0.597
local terms energy: -109.614356
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -24.715
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -289.105705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.105705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.105705 (E_RNA)
where:
Base-Base interactions energy: -194.410
where: short stacking energy: -87.294
Base-Backbone interact. energy: -0.632
local terms energy: -94.062979
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -276.930198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.930198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.930198 (E_RNA)
where:
Base-Base interactions energy: -188.684
where: short stacking energy: -84.913
Base-Backbone interact. energy: 5.670
local terms energy: -93.915917
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -148.286988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.286988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.286988 (E_RNA)
where:
Base-Base interactions energy: -67.822
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.692
local terms energy: -79.772213
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -8.235
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: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -125.017250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.017250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.017250 (E_RNA)
where:
Base-Base interactions energy: -45.269
where: short stacking energy: -42.663
Base-Backbone interact. energy: -1.284
local terms energy: -78.464147
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -26.092
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -130.292738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.292738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.292738 (E_RNA)
where:
Base-Base interactions energy: -59.442
where: short stacking energy: -36.788
Base-Backbone interact. energy: -0.238
local terms energy: -70.612735
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -9.359
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: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -123.434423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.434423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.434423 (E_RNA)
where:
Base-Base interactions energy: -42.779
where: short stacking energy: -27.156
Base-Backbone interact. energy: -0.839
local terms energy: -79.817317
where:
bonds (distance) C4'-P energy: -22.536
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: 0.842
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: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -384.879175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.879175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.879175 (E_RNA)
where:
Base-Base interactions energy: -255.253
where: short stacking energy: -105.448
Base-Backbone interact. energy: -0.296
local terms energy: -129.330563
where:
bonds (distance) C4'-P energy: -22.709
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -34.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -366.628584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.628584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.628584 (E_RNA)
where:
Base-Base interactions energy: -241.841
where: short stacking energy: -115.882
Base-Backbone interact. energy: -0.090
local terms energy: -124.697994
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -37.324
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: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -323.304452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.304452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.304452 (E_RNA)
where:
Base-Base interactions energy: -203.657
where: short stacking energy: -106.242
Base-Backbone interact. energy: -0.008
local terms energy: -119.639807
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -26.725
flat angles C4'-P-C4' energy: -25.518
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -31.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -287.259325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.259325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.259325 (E_RNA)
where:
Base-Base interactions energy: -187.644
where: short stacking energy: -84.508
Base-Backbone interact. energy: 2.317
local terms energy: -101.931709
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -13.520
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: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -293.711156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.711156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.711156 (E_RNA)
where:
Base-Base interactions energy: -184.310
where: short stacking energy: -77.649
Base-Backbone interact. energy: -0.871
local terms energy: -108.530452
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -241.223239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.223239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.223239 (E_RNA)
where:
Base-Base interactions energy: -156.819
where: short stacking energy: -60.587
Base-Backbone interact. energy: -0.894
local terms energy: -83.510636
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -9.089
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: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -176.709599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.709599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.709599 (E_RNA)
where:
Base-Base interactions energy: -100.613
where: short stacking energy: -46.460
Base-Backbone interact. energy: -0.389
local terms energy: -75.707900
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -20.610
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: 1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -137.352939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.352939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.352939 (E_RNA)
where:
Base-Base interactions energy: -56.252
where: short stacking energy: -44.333
Base-Backbone interact. energy: -1.163
local terms energy: -79.937787
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -15.288
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: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -115.975458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.975458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.975458 (E_RNA)
where:
Base-Base interactions energy: -36.951
where: short stacking energy: -37.351
Base-Backbone interact. energy: -0.442
local terms energy: -78.582923
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -124.669152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.669152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.669152 (E_RNA)
where:
Base-Base interactions energy: -47.300
where: short stacking energy: -40.263
Base-Backbone interact. energy: -0.027
local terms energy: -77.341872
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -6.988
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: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -377.103194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.103194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.103194 (E_RNA)
where:
Base-Base interactions energy: -248.386
where: short stacking energy: -112.844
Base-Backbone interact. energy: -0.502
local terms energy: -128.215618
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -24.721
flat angles C4'-P-C4' energy: -23.919
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -367.651165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.651165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.651165 (E_RNA)
where:
Base-Base interactions energy: -244.136
where: short stacking energy: -109.976
Base-Backbone interact. energy: -0.318
local terms energy: -123.196667
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -35.016
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: 71
Temperature: 1.000000
Total energy: -314.941532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.941532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.941532 (E_RNA)
where:
Base-Base interactions energy: -196.798
where: short stacking energy: -97.319
Base-Backbone interact. energy: -0.357
local terms energy: -117.786032
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -29.492
flat angles C4'-P-C4' energy: -26.917
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -320.906170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.906170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.906170 (E_RNA)
where:
Base-Base interactions energy: -205.869
where: short stacking energy: -94.746
Base-Backbone interact. energy: -0.616
local terms energy: -114.420406
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -26.251
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -32.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -270.059131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.059131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.059131 (E_RNA)
where:
Base-Base interactions energy: -175.995
where: short stacking energy: -79.218
Base-Backbone interact. energy: -0.245
local terms energy: -93.819465
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -16.320
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: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -270.105586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.105586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.105586 (E_RNA)
where:
Base-Base interactions energy: -173.236
where: short stacking energy: -76.026
Base-Backbone interact. energy: -0.441
local terms energy: -96.428112
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -22.101
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: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -236.770505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.770505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.770505 (E_RNA)
where:
Base-Base interactions energy: -139.868
where: short stacking energy: -64.397
Base-Backbone interact. energy: 0.330
local terms energy: -97.232027
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -24.693
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -125.974498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.974498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.974498 (E_RNA)
where:
Base-Base interactions energy: -44.868
where: short stacking energy: -43.644
Base-Backbone interact. energy: -0.420
local terms energy: -80.686351
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -11.736
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: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -119.522271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.522271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.522271 (E_RNA)
where:
Base-Base interactions energy: -37.856
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.497
local terms energy: -81.168683
where:
bonds (distance) C4'-P energy: -24.684
bonds (distance) P-C4' energy: -27.530
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -12.408
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: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -114.067280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.067280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.067280 (E_RNA)
where:
Base-Base interactions energy: -44.522
where: short stacking energy: -39.092
Base-Backbone interact. energy: -0.306
local terms energy: -69.239472
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: 1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -366.904738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.904738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.904738 (E_RNA)
where:
Base-Base interactions energy: -234.677
where: short stacking energy: -110.610
Base-Backbone interact. energy: -0.205
local terms energy: -132.022362
where:
bonds (distance) C4'-P energy: -27.123
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -35.855
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: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -368.860110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.860110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.860110 (E_RNA)
where:
Base-Base interactions energy: -247.176
where: short stacking energy: -100.343
Base-Backbone interact. energy: -1.567
local terms energy: -120.116980
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -31.054
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: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -323.497313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.497313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.497313 (E_RNA)
where:
Base-Base interactions energy: -212.866
where: short stacking energy: -96.188
Base-Backbone interact. energy: 2.000
local terms energy: -112.631895
where:
bonds (distance) C4'-P energy: -23.412
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -28.374
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: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -318.012313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.012313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.012313 (E_RNA)
where:
Base-Base interactions energy: -204.322
where: short stacking energy: -89.472
Base-Backbone interact. energy: -0.053
local terms energy: -113.637131
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -25.600
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -277.256102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.256102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.256102 (E_RNA)
where:
Base-Base interactions energy: -176.833
where: short stacking energy: -74.526
Base-Backbone interact. energy: 0.115
local terms energy: -100.538843
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -257.715531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.715531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.715531 (E_RNA)
where:
Base-Base interactions energy: -171.293
where: short stacking energy: -73.799
Base-Backbone interact. energy: -0.342
local terms energy: -86.080329
where:
bonds (distance) C4'-P energy: -8.569
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -19.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -258.294786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.294786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.294786 (E_RNA)
where:
Base-Base interactions energy: -166.032
where: short stacking energy: -70.079
Base-Backbone interact. energy: -0.219
local terms energy: -92.043977
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -133.478061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.478061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.478061 (E_RNA)
where:
Base-Base interactions energy: -60.340
where: short stacking energy: -43.636
Base-Backbone interact. energy: 1.162
local terms energy: -74.299767
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -24.854
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -117.915381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.915381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.915381 (E_RNA)
where:
Base-Base interactions energy: -38.266
where: short stacking energy: -35.372
Base-Backbone interact. energy: -0.128
local terms energy: -79.521171
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -13.137
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: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -104.345086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.345086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.345086 (E_RNA)
where:
Base-Base interactions energy: -47.042
where: short stacking energy: -36.072
Base-Backbone interact. energy: -0.415
local terms energy: -56.888356
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -0.813
tors. eta vs tors. theta energy: 3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -373.013474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.013474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.013474 (E_RNA)
where:
Base-Base interactions energy: -240.647
where: short stacking energy: -110.577
Base-Backbone interact. energy: -0.611
local terms energy: -131.755559
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -27.601
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -34.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -358.602872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.602872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.602872 (E_RNA)
where:
Base-Base interactions energy: -238.621
where: short stacking energy: -104.150
Base-Backbone interact. energy: -0.629
local terms energy: -119.352597
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -30.058
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: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -321.306301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.306301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.306301 (E_RNA)
where:
Base-Base interactions energy: -198.557
where: short stacking energy: -102.739
Base-Backbone interact. energy: -0.945
local terms energy: -121.804269
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -26.580
flat angles P-C4'-P energy: -17.503
tors. eta vs tors. theta energy: -30.067
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: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -310.564774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.564774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.564774 (E_RNA)
where:
Base-Base interactions energy: -200.466
where: short stacking energy: -93.122
Base-Backbone interact. energy: -0.159
local terms energy: -109.940472
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -22.982
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: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -286.279540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.279540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.279540 (E_RNA)
where:
Base-Base interactions energy: -179.118
where: short stacking energy: -96.276
Base-Backbone interact. energy: -0.121
local terms energy: -107.040716
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -24.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -270.456236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.456236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.456236 (E_RNA)
where:
Base-Base interactions energy: -163.983
where: short stacking energy: -78.613
Base-Backbone interact. energy: -0.283
local terms energy: -106.190783
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -14.977
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: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -256.682562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.682562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.682562 (E_RNA)
where:
Base-Base interactions energy: -161.914
where: short stacking energy: -66.769
Base-Backbone interact. energy: -0.188
local terms energy: -94.580265
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -10.967
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: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -120.967256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.967256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.967256 (E_RNA)
where:
Base-Base interactions energy: -43.660
where: short stacking energy: -39.962
Base-Backbone interact. energy: 2.626
local terms energy: -79.933379
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -5.552
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: 73
Temperature: 1.300000
Total energy: -116.068733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.068733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.068733 (E_RNA)
where:
Base-Base interactions energy: -49.733
where: short stacking energy: -24.761
Base-Backbone interact. energy: -0.226
local terms energy: -66.109743
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: 5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -117.371934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.371934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.371934 (E_RNA)
where:
Base-Base interactions energy: -39.342
where: short stacking energy: -29.381
Base-Backbone interact. energy: -0.559
local terms energy: -77.470978
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: 4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -375.302082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.302082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.302082 (E_RNA)
where:
Base-Base interactions energy: -250.561
where: short stacking energy: -111.471
Base-Backbone interact. energy: -0.897
local terms energy: -123.844234
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -34.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -348.287191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.287191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.287191 (E_RNA)
where:
Base-Base interactions energy: -232.720
where: short stacking energy: -113.586
Base-Backbone interact. energy: -0.047
local terms energy: -115.520721
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -34.250
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: 74
Temperature: 1.000000
Total energy: -321.422101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.422101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.422101 (E_RNA)
where:
Base-Base interactions energy: -200.735
where: short stacking energy: -96.539
Base-Backbone interact. energy: -0.192
local terms energy: -120.494969
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -29.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -327.829985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.829985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.829985 (E_RNA)
where:
Base-Base interactions energy: -212.022
where: short stacking energy: -106.477
Base-Backbone interact. energy: -1.295
local terms energy: -114.512444
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -29.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -274.870534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.870534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.870534 (E_RNA)
where:
Base-Base interactions energy: -169.597
where: short stacking energy: -80.299
Base-Backbone interact. energy: -0.283
local terms energy: -104.991336
where:
bonds (distance) C4'-P energy: -26.567
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -265.442605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.442605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.442605 (E_RNA)
where:
Base-Base interactions energy: -160.442
where: short stacking energy: -85.459
Base-Backbone interact. energy: -0.655
local terms energy: -104.345673
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: -23.196
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: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -252.836212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.836212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.836212 (E_RNA)
where:
Base-Base interactions energy: -164.748
where: short stacking energy: -75.340
Base-Backbone interact. energy: -0.345
local terms energy: -87.742741
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -13.509
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: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -119.819637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.819637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.819637 (E_RNA)
where:
Base-Base interactions energy: -45.951
where: short stacking energy: -34.343
Base-Backbone interact. energy: 0.492
local terms energy: -74.359907
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: 2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -120.454885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.454885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.454885 (E_RNA)
where:
Base-Base interactions energy: -49.817
where: short stacking energy: -36.570
Base-Backbone interact. energy: -0.631
local terms energy: -70.007362
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -14.753
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: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -124.374225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.374225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.374225 (E_RNA)
where:
Base-Base interactions energy: -47.521
where: short stacking energy: -34.817
Base-Backbone interact. energy: -0.478
local terms energy: -76.374837
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -375.613298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.613298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.613298 (E_RNA)
where:
Base-Base interactions energy: -246.733
where: short stacking energy: -113.462
Base-Backbone interact. energy: -0.363
local terms energy: -128.517525
where:
bonds (distance) C4'-P energy: -24.556
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -29.170
flat angles P-C4'-P energy: -18.849
tors. eta vs tors. theta energy: -32.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -348.333679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.333679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.333679 (E_RNA)
where:
Base-Base interactions energy: -233.464
where: short stacking energy: -99.605
Base-Backbone interact. energy: 0.743
local terms energy: -115.612882
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -27.270
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: 75
Temperature: 1.000000
Total energy: -323.243718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.243718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.243718 (E_RNA)
where:
Base-Base interactions energy: -212.316
where: short stacking energy: -97.376
Base-Backbone interact. energy: -0.333
local terms energy: -110.594636
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -28.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -310.737773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.737773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.737773 (E_RNA)
where:
Base-Base interactions energy: -196.319
where: short stacking energy: -83.441
Base-Backbone interact. energy: -0.097
local terms energy: -114.321445
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -267.984928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.984928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.984928 (E_RNA)
where:
Base-Base interactions energy: -167.917
where: short stacking energy: -76.274
Base-Backbone interact. energy: -0.226
local terms energy: -99.842219
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -265.155429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.155429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.155429 (E_RNA)
where:
Base-Base interactions energy: -160.723
where: short stacking energy: -76.128
Base-Backbone interact. energy: -0.162
local terms energy: -104.270553
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -23.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -264.526553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.526553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.526553 (E_RNA)
where:
Base-Base interactions energy: -154.755
where: short stacking energy: -70.533
Base-Backbone interact. energy: -1.109
local terms energy: -108.662364
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -27.180
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -20.129
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: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -127.720271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.720271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.720271 (E_RNA)
where:
Base-Base interactions energy: -39.155
where: short stacking energy: -36.272
Base-Backbone interact. energy: 0.323
local terms energy: -88.887567
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -23.198
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -127.804200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.804200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.804200 (E_RNA)
where:
Base-Base interactions energy: -50.522
where: short stacking energy: -49.165
Base-Backbone interact. energy: -0.322
local terms energy: -76.960279
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -108.015755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.015755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.015755 (E_RNA)
where:
Base-Base interactions energy: -45.649
where: short stacking energy: -31.251
Base-Backbone interact. energy: 0.858
local terms energy: -63.223965
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -13.083
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: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -372.546153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.546153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.546153 (E_RNA)
where:
Base-Base interactions energy: -241.408
where: short stacking energy: -98.336
Base-Backbone interact. energy: -0.340
local terms energy: -130.798057
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -30.184
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -34.014
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: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -341.349697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.349697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.349697 (E_RNA)
where:
Base-Base interactions energy: -221.027
where: short stacking energy: -103.829
Base-Backbone interact. energy: -0.056
local terms energy: -120.266927
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -32.187
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: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -334.444423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.444423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.444423 (E_RNA)
where:
Base-Base interactions energy: -215.168
where: short stacking energy: -89.195
Base-Backbone interact. energy: -0.057
local terms energy: -119.218750
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -22.617
tors. eta vs tors. theta energy: -24.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -308.155498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.155498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.155498 (E_RNA)
where:
Base-Base interactions energy: -199.515
where: short stacking energy: -96.742
Base-Backbone interact. energy: -0.733
local terms energy: -107.907245
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -272.671944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.671944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.671944 (E_RNA)
where:
Base-Base interactions energy: -173.288
where: short stacking energy: -82.078
Base-Backbone interact. energy: -0.250
local terms energy: -99.133523
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -271.371469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.371469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.371469 (E_RNA)
where:
Base-Base interactions energy: -169.756
where: short stacking energy: -85.575
Base-Backbone interact. energy: -0.491
local terms energy: -101.124836
where:
bonds (distance) C4'-P energy: -24.769
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -285.505001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.505001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.505001 (E_RNA)
where:
Base-Base interactions energy: -183.158
where: short stacking energy: -84.764
Base-Backbone interact. energy: -0.569
local terms energy: -101.778929
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -24.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -135.076309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.076309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.076309 (E_RNA)
where:
Base-Base interactions energy: -61.453
where: short stacking energy: -45.900
Base-Backbone interact. energy: 4.352
local terms energy: -77.975206
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -12.553
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: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -133.791356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.791356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.791356 (E_RNA)
where:
Base-Base interactions energy: -56.525
where: short stacking energy: -28.768
Base-Backbone interact. energy: -1.494
local terms energy: -75.771928
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -11.243
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: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -111.154835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.154835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.154835 (E_RNA)
where:
Base-Base interactions energy: -39.402
where: short stacking energy: -30.003
Base-Backbone interact. energy: 1.477
local terms energy: -73.230112
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -15.020
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: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -382.224928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.224928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.224928 (E_RNA)
where:
Base-Base interactions energy: -257.769
where: short stacking energy: -107.963
Base-Backbone interact. energy: -1.090
local terms energy: -123.365614
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -30.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -348.959685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.959685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.959685 (E_RNA)
where:
Base-Base interactions energy: -226.918
where: short stacking energy: -111.966
Base-Backbone interact. energy: 0.413
local terms energy: -122.454154
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -29.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -320.136399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.136399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.136399 (E_RNA)
where:
Base-Base interactions energy: -203.860
where: short stacking energy: -101.180
Base-Backbone interact. energy: -0.092
local terms energy: -116.184609
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -26.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -292.903159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.903159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.903159 (E_RNA)
where:
Base-Base interactions energy: -188.149
where: short stacking energy: -83.506
Base-Backbone interact. energy: -0.265
local terms energy: -104.488682
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -287.555109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.555109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.555109 (E_RNA)
where:
Base-Base interactions energy: -183.470
where: short stacking energy: -81.028
Base-Backbone interact. energy: -1.074
local terms energy: -103.011247
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -23.789
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: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -269.251676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.251676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.251676 (E_RNA)
where:
Base-Base interactions energy: -161.875
where: short stacking energy: -72.240
Base-Backbone interact. energy: -3.377
local terms energy: -103.999266
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -256.632339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.632339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.632339 (E_RNA)
where:
Base-Base interactions energy: -155.227
where: short stacking energy: -79.918
Base-Backbone interact. energy: -0.010
local terms energy: -101.395165
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -25.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -131.849493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.849493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.849493 (E_RNA)
where:
Base-Base interactions energy: -57.119
where: short stacking energy: -46.384
Base-Backbone interact. energy: 0.737
local terms energy: -75.467424
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -163.269422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.269422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.269422 (E_RNA)
where:
Base-Base interactions energy: -90.799
where: short stacking energy: -47.252
Base-Backbone interact. energy: -0.727
local terms energy: -71.743746
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -5.988
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: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -122.200284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.200284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.200284 (E_RNA)
where:
Base-Base interactions energy: -41.847
where: short stacking energy: -37.475
Base-Backbone interact. energy: -0.163
local terms energy: -80.190267
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -10.634
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: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -380.087333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.087333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.087333 (E_RNA)
where:
Base-Base interactions energy: -253.600
where: short stacking energy: -96.568
Base-Backbone interact. energy: -0.732
local terms energy: -125.754937
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -27.662
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -33.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -327.710519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.710519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.710519 (E_RNA)
where:
Base-Base interactions energy: -209.879
where: short stacking energy: -100.244
Base-Backbone interact. energy: -1.713
local terms energy: -116.118817
where:
bonds (distance) C4'-P energy: -26.076
bonds (distance) P-C4' energy: -28.579
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -24.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -325.314807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.314807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.314807 (E_RNA)
where:
Base-Base interactions energy: -202.668
where: short stacking energy: -97.786
Base-Backbone interact. energy: -0.130
local terms energy: -122.517031
where:
bonds (distance) C4'-P energy: -24.173
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -27.446
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: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -303.783705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.783705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.783705 (E_RNA)
where:
Base-Base interactions energy: -194.533
where: short stacking energy: -89.038
Base-Backbone interact. energy: -0.505
local terms energy: -108.745373
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -26.867
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -277.687528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.687528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.687528 (E_RNA)
where:
Base-Base interactions energy: -170.457
where: short stacking energy: -84.616
Base-Backbone interact. energy: -0.538
local terms energy: -106.692571
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -25.124
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -23.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -271.579047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.579047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.579047 (E_RNA)
where:
Base-Base interactions energy: -179.089
where: short stacking energy: -73.862
Base-Backbone interact. energy: -0.228
local terms energy: -92.261925
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -261.090244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.090244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.090244 (E_RNA)
where:
Base-Base interactions energy: -157.039
where: short stacking energy: -71.744
Base-Backbone interact. energy: 0.616
local terms energy: -104.667178
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -26.943
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -135.933318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.933318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.933318 (E_RNA)
where:
Base-Base interactions energy: -57.870
where: short stacking energy: -52.045
Base-Backbone interact. energy: -0.331
local terms energy: -77.732441
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -7.703
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: 9, replica: 3
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -201.072809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.072809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.072809 (E_RNA)
where:
Base-Base interactions energy: -124.745
where: short stacking energy: -61.180
Base-Backbone interact. energy: -0.279
local terms energy: -76.048972
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -107.722656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.722656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.722656 (E_RNA)
where:
Base-Base interactions energy: -39.129
where: short stacking energy: -39.953
Base-Backbone interact. energy: -1.029
local terms energy: -67.565251
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: 3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -380.877998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.877998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.877998 (E_RNA)
where:
Base-Base interactions energy: -249.419
where: short stacking energy: -106.438
Base-Backbone interact. energy: -0.692
local terms energy: -130.767025
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -28.355
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -32.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -335.095547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.095547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.095547 (E_RNA)
where:
Base-Base interactions energy: -207.790
where: short stacking energy: -109.476
Base-Backbone interact. energy: -0.298
local terms energy: -127.007616
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -31.200
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: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -328.083993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.083993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.083993 (E_RNA)
where:
Base-Base interactions energy: -206.984
where: short stacking energy: -97.975
Base-Backbone interact. energy: -0.132
local terms energy: -120.967381
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -29.973
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: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -300.242964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.242964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.242964 (E_RNA)
where:
Base-Base interactions energy: -184.584
where: short stacking energy: -94.939
Base-Backbone interact. energy: -0.010
local terms energy: -115.648975
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -29.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -276.151884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.151884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.151884 (E_RNA)
where:
Base-Base interactions energy: -179.955
where: short stacking energy: -85.129
Base-Backbone interact. energy: -0.372
local terms energy: -95.824928
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -19.183
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: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -277.316591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.316591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.316591 (E_RNA)
where:
Base-Base interactions energy: -175.306
where: short stacking energy: -83.836
Base-Backbone interact. energy: -0.659
local terms energy: -101.351196
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -258.417700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.417700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.417700 (E_RNA)
where:
Base-Base interactions energy: -169.828
where: short stacking energy: -62.534
Base-Backbone interact. energy: -1.287
local terms energy: -87.303003
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -9.170
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: 79
Temperature: 1.250000
Total energy: -222.349642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.349642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.349642 (E_RNA)
where:
Base-Base interactions energy: -132.400
where: short stacking energy: -59.686
Base-Backbone interact. energy: 0.639
local terms energy: -90.588542
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -117.375983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.375983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.375983 (E_RNA)
where:
Base-Base interactions energy: -47.998
where: short stacking energy: -38.431
Base-Backbone interact. energy: 2.598
local terms energy: -71.976207
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -14.401
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: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -116.314686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.314686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.314686 (E_RNA)
where:
Base-Base interactions energy: -38.431
where: short stacking energy: -37.812
Base-Backbone interact. energy: 0.291
local terms energy: -78.175287
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -14.138
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: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -371.501027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.501027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.501027 (E_RNA)
where:
Base-Base interactions energy: -241.290
where: short stacking energy: -115.607
Base-Backbone interact. energy: -0.467
local terms energy: -129.743912
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -32.599
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: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -332.141296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.141296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.141296 (E_RNA)
where:
Base-Base interactions energy: -217.714
where: short stacking energy: -113.969
Base-Backbone interact. energy: 0.101
local terms energy: -114.528495
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -26.441
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: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -320.214961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.214961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.214961 (E_RNA)
where:
Base-Base interactions energy: -208.322
where: short stacking energy: -96.197
Base-Backbone interact. energy: -0.992
local terms energy: -110.901144
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -25.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -291.298765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.298765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.298765 (E_RNA)
where:
Base-Base interactions energy: -190.347
where: short stacking energy: -95.854
Base-Backbone interact. energy: -0.223
local terms energy: -100.728357
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -24.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -288.806492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.806492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.806492 (E_RNA)
where:
Base-Base interactions energy: -189.003
where: short stacking energy: -90.439
Base-Backbone interact. energy: -0.088
local terms energy: -99.715598
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -18.845
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: 80
Temperature: 1.150000
Total energy: -270.285153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.285153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.285153 (E_RNA)
where:
Base-Base interactions energy: -168.389
where: short stacking energy: -87.789
Base-Backbone interact. energy: 0.872
local terms energy: -102.768220
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -20.683
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: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -266.089923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.089923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.089923 (E_RNA)
where:
Base-Base interactions energy: -165.353
where: short stacking energy: -53.076
Base-Backbone interact. energy: 0.129
local terms energy: -100.865913
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -11.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -235.100895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.100895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.100895 (E_RNA)
where:
Base-Base interactions energy: -149.426
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.013
local terms energy: -85.661963
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -118.033937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.033937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.033937 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -37.628
Base-Backbone interact. energy: -0.047
local terms energy: -80.359287
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -11.042
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: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -118.865893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.865893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.865893 (E_RNA)
where:
Base-Base interactions energy: -38.031
where: short stacking energy: -35.305
Base-Backbone interact. energy: -0.321
local terms energy: -80.513675
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: 1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -367.614813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.614813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.614813 (E_RNA)
where:
Base-Base interactions energy: -239.749
where: short stacking energy: -115.858
Base-Backbone interact. energy: -0.635
local terms energy: -127.230310
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -27.446
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -37.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -350.720253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.720253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.720253 (E_RNA)
where:
Base-Base interactions energy: -221.624
where: short stacking energy: -102.248
Base-Backbone interact. energy: -0.103
local terms energy: -128.993678
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -27.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -319.997445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.997445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.997445 (E_RNA)
where:
Base-Base interactions energy: -205.944
where: short stacking energy: -95.963
Base-Backbone interact. energy: -0.813
local terms energy: -113.240278
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -23.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -302.935835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.935835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.935835 (E_RNA)
where:
Base-Base interactions energy: -194.290
where: short stacking energy: -88.544
Base-Backbone interact. energy: -0.389
local terms energy: -108.256968
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -25.373
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -297.190073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.190073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.190073 (E_RNA)
where:
Base-Base interactions energy: -187.485
where: short stacking energy: -87.849
Base-Backbone interact. energy: 2.713
local terms energy: -112.417976
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -23.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -271.706028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.706028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.706028 (E_RNA)
where:
Base-Base interactions energy: -168.444
where: short stacking energy: -79.840
Base-Backbone interact. energy: -1.076
local terms energy: -102.185422
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -23.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -264.037762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.037762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.037762 (E_RNA)
where:
Base-Base interactions energy: -164.215
where: short stacking energy: -71.540
Base-Backbone interact. energy: -0.177
local terms energy: -99.645046
where:
bonds (distance) C4'-P energy: -21.983
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -229.466911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.466911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.466911 (E_RNA)
where:
Base-Base interactions energy: -135.831
where: short stacking energy: -58.418
Base-Backbone interact. energy: -0.379
local terms energy: -93.256587
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -25.031
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -11.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -109.480084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.480084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.480084 (E_RNA)
where:
Base-Base interactions energy: -40.781
where: short stacking energy: -29.689
Base-Backbone interact. energy: 2.444
local terms energy: -71.142366
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -120.862966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.862966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.862966 (E_RNA)
where:
Base-Base interactions energy: -45.960
where: short stacking energy: -44.687
Base-Backbone interact. energy: -0.196
local terms energy: -74.707120
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -354.569248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.569248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.569248 (E_RNA)
where:
Base-Base interactions energy: -233.052
where: short stacking energy: -104.063
Base-Backbone interact. energy: 0.152
local terms energy: -121.669476
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -32.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -322.488009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.488009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.488009 (E_RNA)
where:
Base-Base interactions energy: -211.825
where: short stacking energy: -95.993
Base-Backbone interact. energy: -1.082
local terms energy: -109.581430
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -29.035
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -25.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -311.887466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.887466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.887466 (E_RNA)
where:
Base-Base interactions energy: -209.389
where: short stacking energy: -95.628
Base-Backbone interact. energy: -0.953
local terms energy: -101.545977
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -23.374
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: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -315.666260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.666260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.666260 (E_RNA)
where:
Base-Base interactions energy: -204.133
where: short stacking energy: -94.619
Base-Backbone interact. energy: -0.131
local terms energy: -111.402051
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -26.098
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -287.589925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.589925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.589925 (E_RNA)
where:
Base-Base interactions energy: -178.315
where: short stacking energy: -89.951
Base-Backbone interact. energy: -0.326
local terms energy: -108.948753
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -26.382
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -271.502335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.502335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.502335 (E_RNA)
where:
Base-Base interactions energy: -165.115
where: short stacking energy: -77.545
Base-Backbone interact. energy: 0.713
local terms energy: -107.099784
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -25.652
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -21.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -259.448892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.448892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.448892 (E_RNA)
where:
Base-Base interactions energy: -146.246
where: short stacking energy: -75.890
Base-Backbone interact. energy: -0.246
local terms energy: -112.957057
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -24.737
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -246.653657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.653657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.653657 (E_RNA)
where:
Base-Base interactions energy: -156.518
where: short stacking energy: -73.425
Base-Backbone interact. energy: 1.784
local terms energy: -91.919109
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -21.180
flat angles C4'-P-C4' energy: -23.915
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -16.752
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: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -133.043781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.043781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.043781 (E_RNA)
where:
Base-Base interactions energy: -42.779
where: short stacking energy: -33.506
Base-Backbone interact. energy: -1.018
local terms energy: -89.246936
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -8.732
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: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -116.218726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.218726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.218726 (E_RNA)
where:
Base-Base interactions energy: -41.238
where: short stacking energy: -40.707
Base-Backbone interact. energy: -0.059
local terms energy: -74.921616
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -25.670
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -353.573333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.573333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.573333 (E_RNA)
where:
Base-Base interactions energy: -248.986
where: short stacking energy: -95.133
Base-Backbone interact. energy: -0.437
local terms energy: -104.150470
where:
bonds (distance) C4'-P energy: -23.217
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -28.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -324.468615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.468615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.468615 (E_RNA)
where:
Base-Base interactions energy: -201.660
where: short stacking energy: -99.922
Base-Backbone interact. energy: -0.370
local terms energy: -122.438313
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -30.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -320.540936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.540936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.540936 (E_RNA)
where:
Base-Base interactions energy: -205.787
where: short stacking energy: -87.955
Base-Backbone interact. energy: -0.459
local terms energy: -114.294961
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -320.872400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.872400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.872400 (E_RNA)
where:
Base-Base interactions energy: -216.879
where: short stacking energy: -101.593
Base-Backbone interact. energy: -1.016
local terms energy: -102.977738
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -26.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -271.973023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.973023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.973023 (E_RNA)
where:
Base-Base interactions energy: -157.931
where: short stacking energy: -67.750
Base-Backbone interact. energy: -1.602
local terms energy: -112.440739
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -19.638
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: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -266.933281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.933281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.933281 (E_RNA)
where:
Base-Base interactions energy: -180.036
where: short stacking energy: -69.344
Base-Backbone interact. energy: 1.715
local terms energy: -88.612678
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -17.526
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -262.580862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.580862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.580862 (E_RNA)
where:
Base-Base interactions energy: -167.736
where: short stacking energy: -72.154
Base-Backbone interact. energy: -0.717
local terms energy: -94.128212
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -15.853
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: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -223.758116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.758116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.758116 (E_RNA)
where:
Base-Base interactions energy: -140.557
where: short stacking energy: -60.605
Base-Backbone interact. energy: 0.218
local terms energy: -83.419616
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -130.224391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.224391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.224391 (E_RNA)
where:
Base-Base interactions energy: -61.115
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.341
local terms energy: -68.767966
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -15.510
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: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -109.824985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.824985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.824985 (E_RNA)
where:
Base-Base interactions energy: -43.184
where: short stacking energy: -25.648
Base-Backbone interact. energy: -0.642
local terms energy: -65.999436
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: 4.050
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: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -352.515425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.515425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.515425 (E_RNA)
where:
Base-Base interactions energy: -233.960
where: short stacking energy: -99.389
Base-Backbone interact. energy: -0.434
local terms energy: -118.121856
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -29.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -311.063950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.063950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.063950 (E_RNA)
where:
Base-Base interactions energy: -189.169
where: short stacking energy: -74.347
Base-Backbone interact. energy: -0.317
local terms energy: -121.578562
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -22.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -325.475662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.475662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.475662 (E_RNA)
where:
Base-Base interactions energy: -211.944
where: short stacking energy: -101.778
Base-Backbone interact. energy: 0.652
local terms energy: -114.184277
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -29.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -296.988334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.988334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.988334 (E_RNA)
where:
Base-Base interactions energy: -188.617
where: short stacking energy: -92.537
Base-Backbone interact. energy: -0.805
local terms energy: -107.566797
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -19.023
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: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -271.025903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.025903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.025903 (E_RNA)
where:
Base-Base interactions energy: -169.810
where: short stacking energy: -81.494
Base-Backbone interact. energy: 1.781
local terms energy: -102.997315
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -18.970
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: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -288.027514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.027514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.027514 (E_RNA)
where:
Base-Base interactions energy: -181.445
where: short stacking energy: -80.316
Base-Backbone interact. energy: -0.044
local terms energy: -106.538164
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -24.302
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: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -257.428015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.428015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.428015 (E_RNA)
where:
Base-Base interactions energy: -159.530
where: short stacking energy: -74.328
Base-Backbone interact. energy: 1.515
local terms energy: -99.413409
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -25.794
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -18.764
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: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -223.296711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.296711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.296711 (E_RNA)
where:
Base-Base interactions energy: -145.033
where: short stacking energy: -55.751
Base-Backbone interact. energy: -0.746
local terms energy: -77.517376
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -11.608
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: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -137.730121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.730121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.730121 (E_RNA)
where:
Base-Base interactions energy: -56.105
where: short stacking energy: -43.229
Base-Backbone interact. energy: 0.673
local terms energy: -82.298806
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -147.091522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.091522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.091522 (E_RNA)
where:
Base-Base interactions energy: -87.163
where: short stacking energy: -35.809
Base-Backbone interact. energy: 0.082
local terms energy: -60.010096
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -4.070
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -374.145683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.145683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.145683 (E_RNA)
where:
Base-Base interactions energy: -250.319
where: short stacking energy: -96.794
Base-Backbone interact. energy: -0.804
local terms energy: -123.021835
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: -27.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -331.837548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.837548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.837548 (E_RNA)
where:
Base-Base interactions energy: -221.011
where: short stacking energy: -90.288
Base-Backbone interact. energy: 0.472
local terms energy: -111.299107
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -27.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -316.164235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.164235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.164235 (E_RNA)
where:
Base-Base interactions energy: -209.609
where: short stacking energy: -88.989
Base-Backbone interact. energy: 0.286
local terms energy: -106.841705
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -15.147
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: 85
Temperature: 1.050000
Total energy: -298.487981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.487981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.487981 (E_RNA)
where:
Base-Base interactions energy: -190.474
where: short stacking energy: -88.446
Base-Backbone interact. energy: -0.791
local terms energy: -107.223731
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -18.930
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: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -282.188841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.188841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.188841 (E_RNA)
where:
Base-Base interactions energy: -183.812
where: short stacking energy: -85.543
Base-Backbone interact. energy: -0.820
local terms energy: -97.556229
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -277.449896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.449896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.449896 (E_RNA)
where:
Base-Base interactions energy: -175.349
where: short stacking energy: -89.301
Base-Backbone interact. energy: -0.251
local terms energy: -101.850594
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -257.639356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.639356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.639356 (E_RNA)
where:
Base-Base interactions energy: -162.389
where: short stacking energy: -81.924
Base-Backbone interact. energy: -0.198
local terms energy: -95.052696
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -259.962947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.962947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.962947 (E_RNA)
where:
Base-Base interactions energy: -174.412
where: short stacking energy: -81.168
Base-Backbone interact. energy: 0.470
local terms energy: -86.020509
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -15.464
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: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -141.472115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.472115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.472115 (E_RNA)
where:
Base-Base interactions energy: -64.824
where: short stacking energy: -29.323
Base-Backbone interact. energy: -0.250
local terms energy: -76.397749
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -119.306550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.306550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.306550 (E_RNA)
where:
Base-Base interactions energy: -52.461
where: short stacking energy: -41.819
Base-Backbone interact. energy: -1.552
local terms energy: -65.293431
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: 4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -382.548470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.548470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.548470 (E_RNA)
where:
Base-Base interactions energy: -255.347
where: short stacking energy: -103.034
Base-Backbone interact. energy: -0.733
local terms energy: -126.468154
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -30.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -328.960781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.960781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.960781 (E_RNA)
where:
Base-Base interactions energy: -221.588
where: short stacking energy: -75.399
Base-Backbone interact. energy: -0.816
local terms energy: -106.556840
where:
bonds (distance) C4'-P energy: -26.156
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -21.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -293.321320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.321320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.321320 (E_RNA)
where:
Base-Base interactions energy: -195.359
where: short stacking energy: -82.678
Base-Backbone interact. energy: 0.164
local terms energy: -98.126452
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -310.092263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.092263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.092263 (E_RNA)
where:
Base-Base interactions energy: -211.381
where: short stacking energy: -98.378
Base-Backbone interact. energy: 0.125
local terms energy: -98.837162
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -25.740
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: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -281.781006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.781006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.781006 (E_RNA)
where:
Base-Base interactions energy: -176.376
where: short stacking energy: -74.336
Base-Backbone interact. energy: -0.691
local terms energy: -104.713990
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -22.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -265.042357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.042357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.042357 (E_RNA)
where:
Base-Base interactions energy: -163.312
where: short stacking energy: -73.977
Base-Backbone interact. energy: -1.256
local terms energy: -100.474410
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -271.058391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.058391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.058391 (E_RNA)
where:
Base-Base interactions energy: -175.849
where: short stacking energy: -80.335
Base-Backbone interact. energy: -0.478
local terms energy: -94.731770
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -239.781997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.781997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.781997 (E_RNA)
where:
Base-Base interactions energy: -152.125
where: short stacking energy: -72.819
Base-Backbone interact. energy: 2.161
local terms energy: -89.817935
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -25.969
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -8.954
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: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -111.570935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.570935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.570935 (E_RNA)
where:
Base-Base interactions energy: -42.127
where: short stacking energy: -25.747
Base-Backbone interact. energy: -1.785
local terms energy: -67.659785
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: 4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -131.766026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.766026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.766026 (E_RNA)
where:
Base-Base interactions energy: -57.907
where: short stacking energy: -30.157
Base-Backbone interact. energy: -0.600
local terms energy: -73.258235
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -377.567008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.567008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.567008 (E_RNA)
where:
Base-Base interactions energy: -247.591
where: short stacking energy: -100.509
Base-Backbone interact. energy: -0.927
local terms energy: -129.048796
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -32.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -338.850112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.850112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.850112 (E_RNA)
where:
Base-Base interactions energy: -214.153
where: short stacking energy: -95.208
Base-Backbone interact. energy: -0.666
local terms energy: -124.031441
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -31.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -307.578041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.578041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.578041 (E_RNA)
where:
Base-Base interactions energy: -198.218
where: short stacking energy: -87.798
Base-Backbone interact. energy: 0.353
local terms energy: -109.712870
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -24.706
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: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -287.274124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.274124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.274124 (E_RNA)
where:
Base-Base interactions energy: -181.234
where: short stacking energy: -83.073
Base-Backbone interact. energy: -0.095
local terms energy: -105.945347
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -27.521
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -283.617491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.617491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.617491 (E_RNA)
where:
Base-Base interactions energy: -182.693
where: short stacking energy: -76.950
Base-Backbone interact. energy: -0.949
local terms energy: -99.974834
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -252.912475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.912475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.912475 (E_RNA)
where:
Base-Base interactions energy: -154.344
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.317
local terms energy: -98.251470
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -260.305584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.305584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.305584 (E_RNA)
where:
Base-Base interactions energy: -168.322
where: short stacking energy: -80.648
Base-Backbone interact. energy: -0.074
local terms energy: -91.909699
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -16.177
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: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -241.869726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.869726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.869726 (E_RNA)
where:
Base-Base interactions energy: -155.464
where: short stacking energy: -63.649
Base-Backbone interact. energy: -0.287
local terms energy: -86.118606
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -133.450697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.450697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.450697 (E_RNA)
where:
Base-Base interactions energy: -56.891
where: short stacking energy: -28.253
Base-Backbone interact. energy: -0.273
local terms energy: -76.286271
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -122.089081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.089081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.089081 (E_RNA)
where:
Base-Base interactions energy: -55.358
where: short stacking energy: -38.188
Base-Backbone interact. energy: -0.259
local terms energy: -66.471900
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -381.100427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.100427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.100427 (E_RNA)
where:
Base-Base interactions energy: -255.856
where: short stacking energy: -111.641
Base-Backbone interact. energy: -1.237
local terms energy: -124.007722
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -28.479
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -29.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -336.374433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.374433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.374433 (E_RNA)
where:
Base-Base interactions energy: -219.427
where: short stacking energy: -101.923
Base-Backbone interact. energy: -0.441
local terms energy: -116.507072
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -30.764
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -28.752
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: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -291.778156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.778156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.778156 (E_RNA)
where:
Base-Base interactions energy: -192.228
where: short stacking energy: -77.392
Base-Backbone interact. energy: -0.294
local terms energy: -99.255916
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -323.259618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.259618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.259618 (E_RNA)
where:
Base-Base interactions energy: -206.864
where: short stacking energy: -105.889
Base-Backbone interact. energy: -0.636
local terms energy: -115.759851
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -27.353
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -26.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -278.256345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.256345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.256345 (E_RNA)
where:
Base-Base interactions energy: -175.001
where: short stacking energy: -63.334
Base-Backbone interact. energy: -2.119
local terms energy: -101.136309
where:
bonds (distance) C4'-P energy: -25.171
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -27.365
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -12.541
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: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -287.683921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.683921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.683921 (E_RNA)
where:
Base-Base interactions energy: -186.263
where: short stacking energy: -78.366
Base-Backbone interact. energy: -0.314
local terms energy: -101.107413
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -261.193526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.193526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.193526 (E_RNA)
where:
Base-Base interactions energy: -159.516
where: short stacking energy: -70.925
Base-Backbone interact. energy: -0.482
local terms energy: -101.195653
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -16.755
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: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -239.425234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.425234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.425234 (E_RNA)
where:
Base-Base interactions energy: -149.080
where: short stacking energy: -58.023
Base-Backbone interact. energy: -0.583
local terms energy: -89.762336
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -129.317755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.317755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.317755 (E_RNA)
where:
Base-Base interactions energy: -42.917
where: short stacking energy: -36.367
Base-Backbone interact. energy: -0.166
local terms energy: -86.234731
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -27.233
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -125.348660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.348660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.348660 (E_RNA)
where:
Base-Base interactions energy: -57.236
where: short stacking energy: -52.661
Base-Backbone interact. energy: -0.584
local terms energy: -67.529305
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: 0.325
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: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -368.605624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.605624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.605624 (E_RNA)
where:
Base-Base interactions energy: -251.807
where: short stacking energy: -105.673
Base-Backbone interact. energy: -0.521
local terms energy: -116.277163
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -311.494298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.494298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.494298 (E_RNA)
where:
Base-Base interactions energy: -207.848
where: short stacking energy: -80.056
Base-Backbone interact. energy: -0.138
local terms energy: -103.508669
where:
bonds (distance) C4'-P energy: -26.155
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -27.395
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -18.800
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: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -321.524128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.524128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.524128 (E_RNA)
where:
Base-Base interactions energy: -207.332
where: short stacking energy: -102.490
Base-Backbone interact. energy: -0.179
local terms energy: -114.013165
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -27.048
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -28.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -337.228470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.228470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.228470 (E_RNA)
where:
Base-Base interactions energy: -211.998
where: short stacking energy: -100.509
Base-Backbone interact. energy: -0.681
local terms energy: -124.549603
where:
bonds (distance) C4'-P energy: -27.444
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -32.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -270.463516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.463516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.463516 (E_RNA)
where:
Base-Base interactions energy: -173.623
where: short stacking energy: -78.831
Base-Backbone interact. energy: -0.631
local terms energy: -96.209584
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -257.408151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.408151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.408151 (E_RNA)
where:
Base-Base interactions energy: -169.502
where: short stacking energy: -70.786
Base-Backbone interact. energy: 0.242
local terms energy: -88.148400
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -12.109
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: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -282.016920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.016920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.016920 (E_RNA)
where:
Base-Base interactions energy: -191.988
where: short stacking energy: -85.340
Base-Backbone interact. energy: -0.939
local terms energy: -89.090069
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -26.717
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: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -262.706481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.706481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.706481 (E_RNA)
where:
Base-Base interactions energy: -176.941
where: short stacking energy: -76.130
Base-Backbone interact. energy: 0.773
local terms energy: -86.538061
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -13.215
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: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -127.012446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.012446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.012446 (E_RNA)
where:
Base-Base interactions energy: -52.785
where: short stacking energy: -52.785
Base-Backbone interact. energy: 0.158
local terms energy: -74.385023
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -15.032
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: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -114.408080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.408080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.408080 (E_RNA)
where:
Base-Base interactions energy: -51.542
where: short stacking energy: -41.348
Base-Backbone interact. energy: -0.670
local terms energy: -62.195772
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -373.334109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.334109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.334109 (E_RNA)
where:
Base-Base interactions energy: -250.997
where: short stacking energy: -106.469
Base-Backbone interact. energy: -0.822
local terms energy: -121.515284
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -25.819
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -32.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -310.997918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.997918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.997918 (E_RNA)
where:
Base-Base interactions energy: -199.687
where: short stacking energy: -92.601
Base-Backbone interact. energy: -0.259
local terms energy: -111.051799
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -27.850
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -325.890552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.890552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.890552 (E_RNA)
where:
Base-Base interactions energy: -205.604
where: short stacking energy: -104.896
Base-Backbone interact. energy: -0.869
local terms energy: -119.417831
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -27.804
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: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -313.119109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.119109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.119109 (E_RNA)
where:
Base-Base interactions energy: -199.116
where: short stacking energy: -92.662
Base-Backbone interact. energy: -0.147
local terms energy: -113.856424
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -29.816
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: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -265.978615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.978615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.978615 (E_RNA)
where:
Base-Base interactions energy: -152.019
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.461
local terms energy: -113.498884
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -26.986
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -262.765729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.765729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.765729 (E_RNA)
where:
Base-Base interactions energy: -171.937
where: short stacking energy: -83.863
Base-Backbone interact. energy: -0.217
local terms energy: -90.611667
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -274.784057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.784057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.784057 (E_RNA)
where:
Base-Base interactions energy: -177.727
where: short stacking energy: -83.325
Base-Backbone interact. energy: -0.304
local terms energy: -96.752548
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -234.958605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.958605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.958605 (E_RNA)
where:
Base-Base interactions energy: -144.197
where: short stacking energy: -65.919
Base-Backbone interact. energy: 0.943
local terms energy: -91.704652
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -117.975004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.975004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.975004 (E_RNA)
where:
Base-Base interactions energy: -52.943
where: short stacking energy: -39.252
Base-Backbone interact. energy: 0.297
local terms energy: -65.329585
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: 4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -109.322507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.322507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.322507 (E_RNA)
where:
Base-Base interactions energy: -32.094
where: short stacking energy: -31.396
Base-Backbone interact. energy: -0.395
local terms energy: -76.833479
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -16.744
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: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -378.104864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.104864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.104864 (E_RNA)
where:
Base-Base interactions energy: -253.177
where: short stacking energy: -109.218
Base-Backbone interact. energy: -2.797
local terms energy: -122.130997
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -26.435
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -33.919
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: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -318.926963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.926963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.926963 (E_RNA)
where:
Base-Base interactions energy: -211.318
where: short stacking energy: -93.931
Base-Backbone interact. energy: -0.925
local terms energy: -106.683691
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -26.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -307.936188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.936188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.936188 (E_RNA)
where:
Base-Base interactions energy: -190.988
where: short stacking energy: -90.572
Base-Backbone interact. energy: -1.572
local terms energy: -115.376015
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -26.072
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: -23.701
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: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -295.513830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.513830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.513830 (E_RNA)
where:
Base-Base interactions energy: -192.578
where: short stacking energy: -91.455
Base-Backbone interact. energy: -0.113
local terms energy: -102.823363
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -26.134
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: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -274.250371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.250371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.250371 (E_RNA)
where:
Base-Base interactions energy: -182.204
where: short stacking energy: -80.006
Base-Backbone interact. energy: -0.192
local terms energy: -91.854496
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -22.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -279.212240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.212240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.212240 (E_RNA)
where:
Base-Base interactions energy: -183.101
where: short stacking energy: -82.313
Base-Backbone interact. energy: -0.343
local terms energy: -95.767638
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -12.364
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: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -258.822952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.822952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.822952 (E_RNA)
where:
Base-Base interactions energy: -156.213
where: short stacking energy: -77.576
Base-Backbone interact. energy: -0.477
local terms energy: -102.133401
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -17.448
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: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -244.438261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.438261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.438261 (E_RNA)
where:
Base-Base interactions energy: -141.363
where: short stacking energy: -58.081
Base-Backbone interact. energy: -0.129
local terms energy: -102.945992
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -19.771
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -127.426911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.426911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.426911 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -36.988
Base-Backbone interact. energy: -0.042
local terms energy: -90.258276
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -29.911
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -124.099283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.099283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.099283 (E_RNA)
where:
Base-Base interactions energy: -57.418
where: short stacking energy: -46.875
Base-Backbone interact. energy: -0.786
local terms energy: -65.895434
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -2.448
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: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -383.384437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.384437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.384437 (E_RNA)
where:
Base-Base interactions energy: -256.406
where: short stacking energy: -107.615
Base-Backbone interact. energy: -1.190
local terms energy: -125.789109
where:
bonds (distance) C4'-P energy: -24.856
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -33.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -338.105135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.105135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.105135 (E_RNA)
where:
Base-Base interactions energy: -212.950
where: short stacking energy: -105.801
Base-Backbone interact. energy: 2.285
local terms energy: -127.439433
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -32.623
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: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -288.232750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.232750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.232750 (E_RNA)
where:
Base-Base interactions energy: -183.453
where: short stacking energy: -81.886
Base-Backbone interact. energy: -0.708
local terms energy: -104.071889
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -23.619
flat angles P-C4'-P energy: -15.697
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: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -298.615207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.615207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.615207 (E_RNA)
where:
Base-Base interactions energy: -193.194
where: short stacking energy: -86.166
Base-Backbone interact. energy: -0.228
local terms energy: -105.193899
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -22.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -294.271169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.271169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.271169 (E_RNA)
where:
Base-Base interactions energy: -181.512
where: short stacking energy: -88.066
Base-Backbone interact. energy: -0.707
local terms energy: -112.051659
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -27.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -308.371959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.371959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.371959 (E_RNA)
where:
Base-Base interactions energy: -202.893
where: short stacking energy: -86.373
Base-Backbone interact. energy: -0.101
local terms energy: -105.378676
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -20.164
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -270.104859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.104859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.104859 (E_RNA)
where:
Base-Base interactions energy: -177.530
where: short stacking energy: -79.329
Base-Backbone interact. energy: -0.278
local terms energy: -92.297500
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -240.394032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.394032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.394032 (E_RNA)
where:
Base-Base interactions energy: -146.861
where: short stacking energy: -76.527
Base-Backbone interact. energy: -0.112
local terms energy: -93.421538
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -126.534398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.534398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.534398 (E_RNA)
where:
Base-Base interactions energy: -49.198
where: short stacking energy: -35.646
Base-Backbone interact. energy: 0.138
local terms energy: -77.474174
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -104.176295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.176295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.176295 (E_RNA)
where:
Base-Base interactions energy: -25.822
where: short stacking energy: -22.312
Base-Backbone interact. energy: 0.370
local terms energy: -78.723496
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -15.166
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: 93
Temperature: 0.900000
Total energy: -372.241819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.241819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.241819 (E_RNA)
where:
Base-Base interactions energy: -249.424
where: short stacking energy: -106.122
Base-Backbone interact. energy: 0.175
local terms energy: -122.992364
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -25.615
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: -30.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -343.685662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.685662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.685662 (E_RNA)
where:
Base-Base interactions energy: -213.784
where: short stacking energy: -112.604
Base-Backbone interact. energy: -0.182
local terms energy: -129.719196
where:
bonds (distance) C4'-P energy: -25.719
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -33.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -306.855350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.855350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.855350 (E_RNA)
where:
Base-Base interactions energy: -205.494
where: short stacking energy: -92.252
Base-Backbone interact. energy: -0.406
local terms energy: -100.954980
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -304.420531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.420531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.420531 (E_RNA)
where:
Base-Base interactions energy: -197.013
where: short stacking energy: -99.014
Base-Backbone interact. energy: 0.420
local terms energy: -107.827991
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -276.122324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.122324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.122324 (E_RNA)
where:
Base-Base interactions energy: -171.609
where: short stacking energy: -73.669
Base-Backbone interact. energy: -0.226
local terms energy: -104.286889
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -15.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -280.376774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.376774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.376774 (E_RNA)
where:
Base-Base interactions energy: -173.975
where: short stacking energy: -74.156
Base-Backbone interact. energy: -0.361
local terms energy: -106.040173
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -16.623
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: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -252.527414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.527414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.527414 (E_RNA)
where:
Base-Base interactions energy: -160.275
where: short stacking energy: -80.167
Base-Backbone interact. energy: -0.200
local terms energy: -92.052752
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -17.736
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -252.382355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.382355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.382355 (E_RNA)
where:
Base-Base interactions energy: -145.006
where: short stacking energy: -83.257
Base-Backbone interact. energy: -0.159
local terms energy: -107.216969
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -25.464
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: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -127.930553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.930553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.930553 (E_RNA)
where:
Base-Base interactions energy: -47.261
where: short stacking energy: -37.524
Base-Backbone interact. energy: 0.359
local terms energy: -81.028389
where:
bonds (distance) C4'-P energy: -25.332
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -14.566
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: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -107.553458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.553458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.553458 (E_RNA)
where:
Base-Base interactions energy: -37.188
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.379
local terms energy: -69.986698
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: 1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -337.224706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.224706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.224706 (E_RNA)
where:
Base-Base interactions energy: -213.734
where: short stacking energy: -106.957
Base-Backbone interact. energy: -0.083
local terms energy: -123.407550
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -25.264
flat angles C4'-P-C4' energy: -26.033
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -28.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -356.332963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.332963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.332963 (E_RNA)
where:
Base-Base interactions energy: -244.645
where: short stacking energy: -109.929
Base-Backbone interact. energy: -0.350
local terms energy: -111.337940
where:
bonds (distance) C4'-P energy: -27.559
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -25.800
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: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -316.541531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.541531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.541531 (E_RNA)
where:
Base-Base interactions energy: -202.925
where: short stacking energy: -98.315
Base-Backbone interact. energy: -0.165
local terms energy: -113.451281
where:
bonds (distance) C4'-P energy: -24.761
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -23.261
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: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -295.752362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.752362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.752362 (E_RNA)
where:
Base-Base interactions energy: -193.951
where: short stacking energy: -85.202
Base-Backbone interact. energy: 1.466
local terms energy: -103.268184
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -22.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -284.745759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.745759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.745759 (E_RNA)
where:
Base-Base interactions energy: -180.142
where: short stacking energy: -70.341
Base-Backbone interact. energy: -0.133
local terms energy: -104.470803
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -24.568
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -25.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -269.228370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.228370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.228370 (E_RNA)
where:
Base-Base interactions energy: -173.446
where: short stacking energy: -73.123
Base-Backbone interact. energy: -0.480
local terms energy: -95.302326
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -24.231
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -241.283232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.283232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.283232 (E_RNA)
where:
Base-Base interactions energy: -148.813
where: short stacking energy: -71.033
Base-Backbone interact. energy: -0.026
local terms energy: -92.444265
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -250.093767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.093767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.093767 (E_RNA)
where:
Base-Base interactions energy: -163.262
where: short stacking energy: -70.249
Base-Backbone interact. energy: 0.130
local terms energy: -86.961390
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -14.235
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: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -135.290302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.290302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.290302 (E_RNA)
where:
Base-Base interactions energy: -59.950
where: short stacking energy: -42.540
Base-Backbone interact. energy: -0.444
local terms energy: -74.896092
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -117.981799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.981799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.981799 (E_RNA)
where:
Base-Base interactions energy: -49.375
where: short stacking energy: -22.904
Base-Backbone interact. energy: -0.054
local terms energy: -68.552559
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: 0.309
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: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -347.737516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.737516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.737516 (E_RNA)
where:
Base-Base interactions energy: -224.053
where: short stacking energy: -122.692
Base-Backbone interact. energy: -0.006
local terms energy: -123.678243
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -30.228
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -34.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -342.239026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.239026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.239026 (E_RNA)
where:
Base-Base interactions energy: -237.415
where: short stacking energy: -99.577
Base-Backbone interact. energy: -1.084
local terms energy: -103.739728
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -26.545
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -24.296
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: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -326.051816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.051816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.051816 (E_RNA)
where:
Base-Base interactions energy: -215.470
where: short stacking energy: -99.284
Base-Backbone interact. energy: 0.186
local terms energy: -110.768379
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -21.308
flat angles C4'-P-C4' energy: -28.027
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -303.033179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.033179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.033179 (E_RNA)
where:
Base-Base interactions energy: -201.581
where: short stacking energy: -97.764
Base-Backbone interact. energy: -0.244
local terms energy: -101.208416
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -21.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -276.183959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.183959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.183959 (E_RNA)
where:
Base-Base interactions energy: -181.172
where: short stacking energy: -77.295
Base-Backbone interact. energy: -0.270
local terms energy: -94.742308
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -20.046
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: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -269.948453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.948453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.948453 (E_RNA)
where:
Base-Base interactions energy: -169.755
where: short stacking energy: -78.608
Base-Backbone interact. energy: 0.596
local terms energy: -100.789490
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -268.344741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.344741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.344741 (E_RNA)
where:
Base-Base interactions energy: -174.484
where: short stacking energy: -83.468
Base-Backbone interact. energy: -0.139
local terms energy: -93.721580
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -250.451468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.451468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.451468 (E_RNA)
where:
Base-Base interactions energy: -164.653
where: short stacking energy: -69.325
Base-Backbone interact. energy: -1.003
local terms energy: -84.796298
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -7.478
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: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -123.501768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.501768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.501768 (E_RNA)
where:
Base-Base interactions energy: -51.242
where: short stacking energy: -32.213
Base-Backbone interact. energy: -0.542
local terms energy: -71.717679
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: 1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -118.926055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.926055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.926055 (E_RNA)
where:
Base-Base interactions energy: -43.881
where: short stacking energy: -35.338
Base-Backbone interact. energy: -1.242
local terms energy: -73.803651
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -14.602
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: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -348.125213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.125213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.125213 (E_RNA)
where:
Base-Base interactions energy: -224.679
where: short stacking energy: -104.186
Base-Backbone interact. energy: -0.702
local terms energy: -122.744653
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -29.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -369.109518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.109518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.109518 (E_RNA)
where:
Base-Base interactions energy: -244.170
where: short stacking energy: -107.280
Base-Backbone interact. energy: -0.748
local terms energy: -124.191705
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -27.139
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -33.498
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: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -313.850816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.850816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.850816 (E_RNA)
where:
Base-Base interactions energy: -198.120
where: short stacking energy: -92.487
Base-Backbone interact. energy: -0.088
local terms energy: -115.643091
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -25.895
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -300.038539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.038539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.038539 (E_RNA)
where:
Base-Base interactions energy: -190.415
where: short stacking energy: -91.333
Base-Backbone interact. energy: -0.939
local terms energy: -108.684943
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -29.347
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -286.248499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.248499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.248499 (E_RNA)
where:
Base-Base interactions energy: -182.224
where: short stacking energy: -86.895
Base-Backbone interact. energy: -0.021
local terms energy: -104.002961
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -26.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -273.747159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.747159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.747159 (E_RNA)
where:
Base-Base interactions energy: -175.506
where: short stacking energy: -94.114
Base-Backbone interact. energy: -0.418
local terms energy: -97.823740
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -256.091635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.091635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.091635 (E_RNA)
where:
Base-Base interactions energy: -161.540
where: short stacking energy: -75.260
Base-Backbone interact. energy: 0.176
local terms energy: -94.726939
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -19.984
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: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -242.845662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.845662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.845662 (E_RNA)
where:
Base-Base interactions energy: -141.519
where: short stacking energy: -65.761
Base-Backbone interact. energy: -0.560
local terms energy: -100.766001
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -15.553
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: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -122.617637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.617637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.617637 (E_RNA)
where:
Base-Base interactions energy: -50.023
where: short stacking energy: -40.182
Base-Backbone interact. energy: -0.527
local terms energy: -72.067166
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -3.526
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: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -120.922087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.922087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.922087 (E_RNA)
where:
Base-Base interactions energy: -61.803
where: short stacking energy: -38.262
Base-Backbone interact. energy: 0.006
local terms energy: -59.125539
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: 0.431
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -358.523447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.523447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.523447 (E_RNA)
where:
Base-Base interactions energy: -224.375
where: short stacking energy: -108.109
Base-Backbone interact. energy: -0.324
local terms energy: -133.823783
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -26.871
flat angles C4'-P-C4' energy: -29.372
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -32.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -375.110846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.110846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.110846 (E_RNA)
where:
Base-Base interactions energy: -254.073
where: short stacking energy: -108.395
Base-Backbone interact. energy: -0.524
local terms energy: -120.513380
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -28.721
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: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -320.875091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.875091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.875091 (E_RNA)
where:
Base-Base interactions energy: -198.108
where: short stacking energy: -93.793
Base-Backbone interact. energy: -0.352
local terms energy: -122.415345
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -24.361
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: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -309.360588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.360588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.360588 (E_RNA)
where:
Base-Base interactions energy: -197.814
where: short stacking energy: -94.445
Base-Backbone interact. energy: 1.146
local terms energy: -112.692766
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -25.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -278.972824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.972824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.972824 (E_RNA)
where:
Base-Base interactions energy: -181.490
where: short stacking energy: -73.901
Base-Backbone interact. energy: -0.845
local terms energy: -96.637750
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -22.910
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -255.815152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.815152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.815152 (E_RNA)
where:
Base-Base interactions energy: -150.066
where: short stacking energy: -78.709
Base-Backbone interact. energy: -0.102
local terms energy: -105.647240
where:
bonds (distance) C4'-P energy: -27.320
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -20.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -271.480191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.480191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.480191 (E_RNA)
where:
Base-Base interactions energy: -175.451
where: short stacking energy: -74.931
Base-Backbone interact. energy: 0.203
local terms energy: -96.232163
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -239.841287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.841287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.841287 (E_RNA)
where:
Base-Base interactions energy: -138.185
where: short stacking energy: -62.517
Base-Backbone interact. energy: -0.178
local terms energy: -101.478001
where:
bonds (distance) C4'-P energy: -24.492
bonds (distance) P-C4' energy: -27.647
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -129.760528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.760528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.760528 (E_RNA)
where:
Base-Base interactions energy: -52.751
where: short stacking energy: -35.766
Base-Backbone interact. energy: -0.426
local terms energy: -76.583582
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: 0.128
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: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -108.280640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.280640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.280640 (E_RNA)
where:
Base-Base interactions energy: -34.709
where: short stacking energy: -24.618
Base-Backbone interact. energy: 0.119
local terms energy: -73.690258
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -8.148
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: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -382.400459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.400459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.400459 (E_RNA)
where:
Base-Base interactions energy: -254.016
where: short stacking energy: -115.728
Base-Backbone interact. energy: -0.902
local terms energy: -127.482954
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -37.223
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: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -371.424419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.424419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.424419 (E_RNA)
where:
Base-Base interactions energy: -239.494
where: short stacking energy: -118.973
Base-Backbone interact. energy: -0.400
local terms energy: -131.529917
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -36.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -323.436606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.436606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.436606 (E_RNA)
where:
Base-Base interactions energy: -200.779
where: short stacking energy: -101.611
Base-Backbone interact. energy: -1.736
local terms energy: -120.921648
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -28.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -306.395144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.395144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.395144 (E_RNA)
where:
Base-Base interactions energy: -194.709
where: short stacking energy: -92.996
Base-Backbone interact. energy: -0.714
local terms energy: -110.972012
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -271.624894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.624894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.624894 (E_RNA)
where:
Base-Base interactions energy: -167.940
where: short stacking energy: -84.204
Base-Backbone interact. energy: -0.121
local terms energy: -103.564694
where:
bonds (distance) C4'-P energy: -25.286
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -274.739853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.739853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.739853 (E_RNA)
where:
Base-Base interactions energy: -170.373
where: short stacking energy: -73.115
Base-Backbone interact. energy: 1.888
local terms energy: -106.254495
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -17.252
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: 98
Temperature: 1.200000
Total energy: -260.445376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.445376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.445376 (E_RNA)
where:
Base-Base interactions energy: -169.449
where: short stacking energy: -85.275
Base-Backbone interact. energy: -0.415
local terms energy: -90.581367
where:
bonds (distance) C4'-P energy: -23.847
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -238.862083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.862083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.862083 (E_RNA)
where:
Base-Base interactions energy: -144.810
where: short stacking energy: -71.151
Base-Backbone interact. energy: 0.601
local terms energy: -94.652946
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -17.447
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: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -128.170234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.170234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.170234 (E_RNA)
where:
Base-Base interactions energy: -43.841
where: short stacking energy: -37.876
Base-Backbone interact. energy: -0.263
local terms energy: -84.066386
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -16.876
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: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -123.307945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.307945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.307945 (E_RNA)
where:
Base-Base interactions energy: -53.138
where: short stacking energy: -31.541
Base-Backbone interact. energy: 5.515
local terms energy: -75.685175
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -25.274
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -14.184
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: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -374.507886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.507886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.507886 (E_RNA)
where:
Base-Base interactions energy: -245.103
where: short stacking energy: -101.406
Base-Backbone interact. energy: -1.099
local terms energy: -128.305790
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -33.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -356.940432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.940432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.940432 (E_RNA)
where:
Base-Base interactions energy: -225.918
where: short stacking energy: -109.256
Base-Backbone interact. energy: -0.406
local terms energy: -130.615784
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -24.954
flat angles C4'-P-C4' energy: -29.869
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -36.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -321.472771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.472771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.472771 (E_RNA)
where:
Base-Base interactions energy: -206.142
where: short stacking energy: -95.197
Base-Backbone interact. energy: -0.611
local terms energy: -114.720036
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -279.746999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.746999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.746999 (E_RNA)
where:
Base-Base interactions energy: -182.497
where: short stacking energy: -76.220
Base-Backbone interact. energy: -0.811
local terms energy: -96.439407
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -17.885
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: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -301.525963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.525963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.525963 (E_RNA)
where:
Base-Base interactions energy: -179.722
where: short stacking energy: -83.691
Base-Backbone interact. energy: -0.074
local terms energy: -121.729975
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -33.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -263.064760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.064760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.064760 (E_RNA)
where:
Base-Base interactions energy: -157.709
where: short stacking energy: -75.382
Base-Backbone interact. energy: 0.111
local terms energy: -105.467157
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -25.421
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -24.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -251.198236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.198236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.198236 (E_RNA)
where:
Base-Base interactions energy: -145.581
where: short stacking energy: -66.751
Base-Backbone interact. energy: -1.142
local terms energy: -104.475044
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -233.103237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.103237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.103237 (E_RNA)
where:
Base-Base interactions energy: -148.903
where: short stacking energy: -69.137
Base-Backbone interact. energy: -0.419
local terms energy: -83.780588
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -16.689
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: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -126.929765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.929765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.929765 (E_RNA)
where:
Base-Base interactions energy: -58.005
where: short stacking energy: -36.078
Base-Backbone interact. energy: -0.984
local terms energy: -67.941223
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -106.459982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.459982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.459982 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -22.611
Base-Backbone interact. energy: -0.591
local terms energy: -73.150254
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: 2.492
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: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -372.388937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.388937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.388937 (E_RNA)
where:
Base-Base interactions energy: -246.840
where: short stacking energy: -104.702
Base-Backbone interact. energy: -0.364
local terms energy: -125.184539
where:
bonds (distance) C4'-P energy: -27.149
bonds (distance) P-C4' energy: -25.174
flat angles C4'-P-C4' energy: -27.810
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -338.128212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.128212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.128212 (E_RNA)
where:
Base-Base interactions energy: -219.169
where: short stacking energy: -100.765
Base-Backbone interact. energy: -0.148
local terms energy: -118.811129
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -28.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -293.098354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.098354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.098354 (E_RNA)
where:
Base-Base interactions energy: -192.578
where: short stacking energy: -88.380
Base-Backbone interact. energy: -0.297
local terms energy: -100.223325
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -298.085314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.085314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.085314 (E_RNA)
where:
Base-Base interactions energy: -186.986
where: short stacking energy: -93.241
Base-Backbone interact. energy: -0.147
local terms energy: -110.951711
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -26.347
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: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -287.150247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.150247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.150247 (E_RNA)
where:
Base-Base interactions energy: -184.441
where: short stacking energy: -82.719
Base-Backbone interact. energy: -0.003
local terms energy: -102.706061
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -274.542845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.542845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.542845 (E_RNA)
where:
Base-Base interactions energy: -176.672
where: short stacking energy: -80.861
Base-Backbone interact. energy: -0.082
local terms energy: -97.789376
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -23.622
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: 100
Temperature: 1.200000
Total energy: -254.553109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.553109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.553109 (E_RNA)
where:
Base-Base interactions energy: -151.835
where: short stacking energy: -72.388
Base-Backbone interact. energy: -1.082
local terms energy: -101.636098
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -16.759
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: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -259.929214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.929214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.929214 (E_RNA)
where:
Base-Base interactions energy: -149.215
where: short stacking energy: -75.398
Base-Backbone interact. energy: -0.124
local terms energy: -110.590856
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -17.541
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: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -152.307351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.307351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.307351 (E_RNA)
where:
Base-Base interactions energy: -70.481
where: short stacking energy: -59.069
Base-Backbone interact. energy: 2.612
local terms energy: -84.438961
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -14.764
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: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -126.424227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.424227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.424227 (E_RNA)
where:
Base-Base interactions energy: -41.883
where: short stacking energy: -39.650
Base-Backbone interact. energy: -0.599
local terms energy: -83.942427
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -2.686
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: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -369.817373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.817373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.817373 (E_RNA)
where:
Base-Base interactions energy: -246.928
where: short stacking energy: -102.047
Base-Backbone interact. energy: -0.879
local terms energy: -122.010268
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -26.732
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -28.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -340.762568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.762568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.762568 (E_RNA)
where:
Base-Base interactions energy: -221.750
where: short stacking energy: -116.016
Base-Backbone interact. energy: -0.414
local terms energy: -118.598228
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -29.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -309.535797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.535797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.535797 (E_RNA)
where:
Base-Base interactions energy: -191.865
where: short stacking energy: -92.952
Base-Backbone interact. energy: -0.074
local terms energy: -117.596681
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -29.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -302.024041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.024041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.024041 (E_RNA)
where:
Base-Base interactions energy: -187.454
where: short stacking energy: -84.902
Base-Backbone interact. energy: -0.265
local terms energy: -114.304969
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -27.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -280.254909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.254909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.254909 (E_RNA)
where:
Base-Base interactions energy: -180.668
where: short stacking energy: -81.228
Base-Backbone interact. energy: -0.495
local terms energy: -99.091543
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -13.429
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: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -255.967265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.967265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.967265 (E_RNA)
where:
Base-Base interactions energy: -155.906
where: short stacking energy: -82.445
Base-Backbone interact. energy: -0.093
local terms energy: -99.968293
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -25.421
flat angles P-C4'-P energy: -18.204
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -264.792206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.792206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.792206 (E_RNA)
where:
Base-Base interactions energy: -163.301
where: short stacking energy: -65.589
Base-Backbone interact. energy: -0.893
local terms energy: -100.598512
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -20.261
tors. eta vs tors. theta energy: -14.567
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: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -249.205753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.205753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.205753 (E_RNA)
where:
Base-Base interactions energy: -160.155
where: short stacking energy: -64.602
Base-Backbone interact. energy: -0.394
local terms energy: -88.656644
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -12.324
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: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -129.578067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.578067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.578067 (E_RNA)
where:
Base-Base interactions energy: -35.297
where: short stacking energy: -35.297
Base-Backbone interact. energy: -0.636
local terms energy: -93.644655
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -7.130
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: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -120.437283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.437283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.437283 (E_RNA)
where:
Base-Base interactions energy: -45.478
where: short stacking energy: -42.584
Base-Backbone interact. energy: -0.457
local terms energy: -74.502550
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -367.357878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.357878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.357878 (E_RNA)
where:
Base-Base interactions energy: -227.362
where: short stacking energy: -123.563
Base-Backbone interact. energy: -0.009
local terms energy: -139.987090
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -26.128
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: -38.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -365.780471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.780471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.780471 (E_RNA)
where:
Base-Base interactions energy: -251.975
where: short stacking energy: -113.829
Base-Backbone interact. energy: -0.759
local terms energy: -113.046391
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -33.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -327.749125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.749125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.749125 (E_RNA)
where:
Base-Base interactions energy: -206.173
where: short stacking energy: -96.330
Base-Backbone interact. energy: -0.752
local terms energy: -120.824059
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -27.940
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: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -291.493890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.493890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.493890 (E_RNA)
where:
Base-Base interactions energy: -190.204
where: short stacking energy: -88.539
Base-Backbone interact. energy: -0.025
local terms energy: -101.264392
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -23.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -266.969984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.969984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.969984 (E_RNA)
where:
Base-Base interactions energy: -162.537
where: short stacking energy: -82.616
Base-Backbone interact. energy: -0.004
local terms energy: -104.428354
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -279.393399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.393399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.393399 (E_RNA)
where:
Base-Base interactions energy: -177.342
where: short stacking energy: -77.248
Base-Backbone interact. energy: -0.088
local terms energy: -101.963171
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -267.288804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.288804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.288804 (E_RNA)
where:
Base-Base interactions energy: -165.461
where: short stacking energy: -72.181
Base-Backbone interact. energy: -1.274
local terms energy: -100.553482
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -263.645713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.645713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.645713 (E_RNA)
where:
Base-Base interactions energy: -173.082
where: short stacking energy: -77.514
Base-Backbone interact. energy: 2.088
local terms energy: -92.651860
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -130.799681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.799681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.799681 (E_RNA)
where:
Base-Base interactions energy: -56.245
where: short stacking energy: -31.531
Base-Backbone interact. energy: 2.881
local terms energy: -77.435295
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: 0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -109.061164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.061164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.061164 (E_RNA)
where:
Base-Base interactions energy: -47.078
where: short stacking energy: -32.330
Base-Backbone interact. energy: -0.577
local terms energy: -61.406392
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: 5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -344.012193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.012193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.012193 (E_RNA)
where:
Base-Base interactions energy: -214.057
where: short stacking energy: -114.321
Base-Backbone interact. energy: -0.160
local terms energy: -129.795468
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -28.537
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -38.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -367.374336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.374336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.374336 (E_RNA)
where:
Base-Base interactions energy: -243.018
where: short stacking energy: -105.641
Base-Backbone interact. energy: -1.419
local terms energy: -122.937209
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -35.382
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: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -320.896376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.896376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.896376 (E_RNA)
where:
Base-Base interactions energy: -204.621
where: short stacking energy: -104.572
Base-Backbone interact. energy: -0.494
local terms energy: -115.781770
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -30.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -298.719317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.719317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.719317 (E_RNA)
where:
Base-Base interactions energy: -182.959
where: short stacking energy: -89.848
Base-Backbone interact. energy: -0.230
local terms energy: -115.530836
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -284.146346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.146346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.146346 (E_RNA)
where:
Base-Base interactions energy: -181.656
where: short stacking energy: -97.473
Base-Backbone interact. energy: -0.248
local terms energy: -102.241778
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -20.089
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: 103
Temperature: 1.150000
Total energy: -264.963052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.963052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.963052 (E_RNA)
where:
Base-Base interactions energy: -155.449
where: short stacking energy: -64.028
Base-Backbone interact. energy: -1.227
local terms energy: -108.286997
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -27.088
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -251.092426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.092426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.092426 (E_RNA)
where:
Base-Base interactions energy: -165.017
where: short stacking energy: -69.037
Base-Backbone interact. energy: -0.055
local terms energy: -86.020048
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -9.326
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: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -245.388960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.388960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.388960 (E_RNA)
where:
Base-Base interactions energy: -159.354
where: short stacking energy: -68.740
Base-Backbone interact. energy: -0.452
local terms energy: -85.582814
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -24.447
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -18.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -113.360114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.360114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.360114 (E_RNA)
where:
Base-Base interactions energy: -38.107
where: short stacking energy: -33.533
Base-Backbone interact. energy: -0.578
local terms energy: -74.674505
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -110.113623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.113623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.113623 (E_RNA)
where:
Base-Base interactions energy: -48.238
where: short stacking energy: -36.145
Base-Backbone interact. energy: 0.596
local terms energy: -62.471636
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: 5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -341.280522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.280522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.280522 (E_RNA)
where:
Base-Base interactions energy: -216.552
where: short stacking energy: -113.219
Base-Backbone interact. energy: -0.091
local terms energy: -124.637418
where:
bonds (distance) C4'-P energy: -27.646
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -28.882
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -30.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -371.903211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.903211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.903211 (E_RNA)
where:
Base-Base interactions energy: -250.560
where: short stacking energy: -109.632
Base-Backbone interact. energy: -0.654
local terms energy: -120.689277
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -28.143
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -313.489428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.489428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.489428 (E_RNA)
where:
Base-Base interactions energy: -194.403
where: short stacking energy: -87.676
Base-Backbone interact. energy: -0.531
local terms energy: -118.555233
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -27.429
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: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -293.864491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.864491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.864491 (E_RNA)
where:
Base-Base interactions energy: -189.931
where: short stacking energy: -94.222
Base-Backbone interact. energy: -0.033
local terms energy: -103.900266
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -21.223
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: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -268.382639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.382639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.382639 (E_RNA)
where:
Base-Base interactions energy: -167.296
where: short stacking energy: -76.174
Base-Backbone interact. energy: -0.348
local terms energy: -100.739208
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -16.390
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: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -276.536799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.536799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.536799 (E_RNA)
where:
Base-Base interactions energy: -166.809
where: short stacking energy: -78.061
Base-Backbone interact. energy: -0.208
local terms energy: -109.519846
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -251.647555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.647555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.647555 (E_RNA)
where:
Base-Base interactions energy: -156.873
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.691
local terms energy: -94.083489
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -9.062
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: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -239.582478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.582478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.582478 (E_RNA)
where:
Base-Base interactions energy: -147.564
where: short stacking energy: -69.185
Base-Backbone interact. energy: -0.273
local terms energy: -91.745669
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -121.249499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.249499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.249499 (E_RNA)
where:
Base-Base interactions energy: -42.361
where: short stacking energy: -42.361
Base-Backbone interact. energy: -0.214
local terms energy: -78.674930
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -115.941180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.941180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.941180 (E_RNA)
where:
Base-Base interactions energy: -30.107
where: short stacking energy: -21.729
Base-Backbone interact. energy: 0.372
local terms energy: -86.206191
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -333.316818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.316818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.316818 (E_RNA)
where:
Base-Base interactions energy: -211.212
where: short stacking energy: -108.923
Base-Backbone interact. energy: -0.217
local terms energy: -121.887945
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -29.611
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: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -368.780409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.780409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.780409 (E_RNA)
where:
Base-Base interactions energy: -245.907
where: short stacking energy: -110.140
Base-Backbone interact. energy: 0.833
local terms energy: -123.705932
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -27.404
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -37.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -329.298175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.298175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.298175 (E_RNA)
where:
Base-Base interactions energy: -217.404
where: short stacking energy: -97.195
Base-Backbone interact. energy: -0.190
local terms energy: -111.704143
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -28.997
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: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -312.496072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.496072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.496072 (E_RNA)
where:
Base-Base interactions energy: -201.671
where: short stacking energy: -94.247
Base-Backbone interact. energy: 3.172
local terms energy: -113.996360
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -27.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -296.263431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.263431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.263431 (E_RNA)
where:
Base-Base interactions energy: -185.484
where: short stacking energy: -77.007
Base-Backbone interact. energy: -0.460
local terms energy: -110.319209
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -26.775
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -22.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -266.111661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.111661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.111661 (E_RNA)
where:
Base-Base interactions energy: -158.456
where: short stacking energy: -85.578
Base-Backbone interact. energy: 0.692
local terms energy: -108.347196
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -24.528
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: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -234.073703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.073703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.073703 (E_RNA)
where:
Base-Base interactions energy: -142.343
where: short stacking energy: -61.819
Base-Backbone interact. energy: -0.458
local terms energy: -91.273571
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -210.233256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.233256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.233256 (E_RNA)
where:
Base-Base interactions energy: -120.624
where: short stacking energy: -52.584
Base-Backbone interact. energy: -0.862
local terms energy: -88.746900
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -24.302
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -11.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -111.768691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.768691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.768691 (E_RNA)
where:
Base-Base interactions energy: -44.067
where: short stacking energy: -36.930
Base-Backbone interact. energy: -0.528
local terms energy: -67.173937
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -107.640314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.640314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.640314 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -28.492
Base-Backbone interact. energy: -0.925
local terms energy: -70.359141
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -381.703167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.703167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.703167 (E_RNA)
where:
Base-Base interactions energy: -258.669
where: short stacking energy: -111.050
Base-Backbone interact. energy: -0.398
local terms energy: -122.636107
where:
bonds (distance) C4'-P energy: -25.514
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -32.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -335.158340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.158340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.158340 (E_RNA)
where:
Base-Base interactions energy: -210.945
where: short stacking energy: -108.890
Base-Backbone interact. energy: -0.487
local terms energy: -123.726330
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: -33.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -326.089954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.089954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.089954 (E_RNA)
where:
Base-Base interactions energy: -214.130
where: short stacking energy: -97.468
Base-Backbone interact. energy: -0.064
local terms energy: -111.895394
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -27.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -284.095849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.095849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.095849 (E_RNA)
where:
Base-Base interactions energy: -175.700
where: short stacking energy: -79.545
Base-Backbone interact. energy: -0.991
local terms energy: -107.405042
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -17.545
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: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -290.052008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.052008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.052008 (E_RNA)
where:
Base-Base interactions energy: -180.171
where: short stacking energy: -74.265
Base-Backbone interact. energy: 1.698
local terms energy: -111.579196
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -28.049
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -277.626329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.626329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.626329 (E_RNA)
where:
Base-Base interactions energy: -172.902
where: short stacking energy: -78.359
Base-Backbone interact. energy: -0.714
local terms energy: -104.010880
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -24.245
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: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -265.555870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.555870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.555870 (E_RNA)
where:
Base-Base interactions energy: -182.551
where: short stacking energy: -84.337
Base-Backbone interact. energy: 0.181
local terms energy: -83.186418
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -15.371
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: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -206.355479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.355479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.355479 (E_RNA)
where:
Base-Base interactions energy: -117.056
where: short stacking energy: -58.676
Base-Backbone interact. energy: -1.737
local terms energy: -87.562921
where:
bonds (distance) C4'-P energy: -28.127
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -115.008379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.008379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.008379 (E_RNA)
where:
Base-Base interactions energy: -41.434
where: short stacking energy: -30.863
Base-Backbone interact. energy: -0.809
local terms energy: -72.765080
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -9.302
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: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -111.064477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.064477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.064477 (E_RNA)
where:
Base-Base interactions energy: -42.380
where: short stacking energy: -35.025
Base-Backbone interact. energy: -1.028
local terms energy: -67.656400
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -20.122
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: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -380.393378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.393378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.393378 (E_RNA)
where:
Base-Base interactions energy: -256.580
where: short stacking energy: -116.515
Base-Backbone interact. energy: -0.428
local terms energy: -123.385717
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -35.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -336.607190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.607190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.607190 (E_RNA)
where:
Base-Base interactions energy: -214.478
where: short stacking energy: -96.719
Base-Backbone interact. energy: 0.826
local terms energy: -122.954287
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -23.923
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -321.900634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.900634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.900634 (E_RNA)
where:
Base-Base interactions energy: -211.730
where: short stacking energy: -105.131
Base-Backbone interact. energy: -0.100
local terms energy: -110.070053
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -296.859642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.859642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.859642 (E_RNA)
where:
Base-Base interactions energy: -192.576
where: short stacking energy: -92.147
Base-Backbone interact. energy: -0.076
local terms energy: -104.207916
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -24.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -262.788711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.788711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.788711 (E_RNA)
where:
Base-Base interactions energy: -155.180
where: short stacking energy: -62.368
Base-Backbone interact. energy: -0.754
local terms energy: -106.854924
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -23.193
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -275.775019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.775019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.775019 (E_RNA)
where:
Base-Base interactions energy: -180.693
where: short stacking energy: -80.597
Base-Backbone interact. energy: -0.422
local terms energy: -94.659789
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -11.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -255.785832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.785832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.785832 (E_RNA)
where:
Base-Base interactions energy: -170.668
where: short stacking energy: -74.240
Base-Backbone interact. energy: -0.455
local terms energy: -84.662871
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -13.731
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: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -207.294354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.294354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.294354 (E_RNA)
where:
Base-Base interactions energy: -124.718
where: short stacking energy: -65.924
Base-Backbone interact. energy: -0.163
local terms energy: -82.413960
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -6.241
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: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -209.633164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.633164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.633164 (E_RNA)
where:
Base-Base interactions energy: -133.874
where: short stacking energy: -64.793
Base-Backbone interact. energy: -1.210
local terms energy: -74.549712
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -10.239
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: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -122.169813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.169813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.169813 (E_RNA)
where:
Base-Base interactions energy: -53.155
where: short stacking energy: -46.477
Base-Backbone interact. energy: -0.130
local terms energy: -68.885407
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: 1.542
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: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -383.230554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.230554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.230554 (E_RNA)
where:
Base-Base interactions energy: -250.888
where: short stacking energy: -109.305
Base-Backbone interact. energy: -1.441
local terms energy: -130.900577
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -28.768
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -34.131
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: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -335.616522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.616522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.616522 (E_RNA)
where:
Base-Base interactions energy: -226.459
where: short stacking energy: -102.486
Base-Backbone interact. energy: -0.071
local terms energy: -109.086555
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -24.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -313.671186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.671186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.671186 (E_RNA)
where:
Base-Base interactions energy: -194.983
where: short stacking energy: -100.155
Base-Backbone interact. energy: -0.040
local terms energy: -118.647682
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -28.644
flat angles C4'-P-C4' energy: -26.458
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -29.006
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: 108
Temperature: 1.050000
Total energy: -313.334119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.334119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.334119 (E_RNA)
where:
Base-Base interactions energy: -209.099
where: short stacking energy: -105.593
Base-Backbone interact. energy: -0.091
local terms energy: -104.143905
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -28.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -271.172021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.172021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.172021 (E_RNA)
where:
Base-Base interactions energy: -161.048
where: short stacking energy: -83.760
Base-Backbone interact. energy: -2.059
local terms energy: -108.064905
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -26.029
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -14.653
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: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -291.440491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.440491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.440491 (E_RNA)
where:
Base-Base interactions energy: -194.468
where: short stacking energy: -75.592
Base-Backbone interact. energy: -0.288
local terms energy: -96.684579
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -15.082
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: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -250.864909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.864909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.864909 (E_RNA)
where:
Base-Base interactions energy: -152.336
where: short stacking energy: -68.111
Base-Backbone interact. energy: -0.155
local terms energy: -98.374064
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -222.805962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.805962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.805962 (E_RNA)
where:
Base-Base interactions energy: -125.184
where: short stacking energy: -53.306
Base-Backbone interact. energy: -0.683
local terms energy: -96.939087
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -230.368284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.368284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.368284 (E_RNA)
where:
Base-Base interactions energy: -146.704
where: short stacking energy: -59.451
Base-Backbone interact. energy: -0.305
local terms energy: -83.359089
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -116.374735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.374735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.374735 (E_RNA)
where:
Base-Base interactions energy: -42.784
where: short stacking energy: -27.830
Base-Backbone interact. energy: -1.096
local terms energy: -72.495134
where:
bonds (distance) C4'-P energy: -23.844
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: 1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -375.762262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.762262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.762262 (E_RNA)
where:
Base-Base interactions energy: -254.917
where: short stacking energy: -109.753
Base-Backbone interact. energy: -1.398
local terms energy: -119.447343
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -29.183
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: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -336.267635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.267635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.267635 (E_RNA)
where:
Base-Base interactions energy: -220.930
where: short stacking energy: -93.435
Base-Backbone interact. energy: -0.537
local terms energy: -114.800244
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -23.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -328.592157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.592157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.592157 (E_RNA)
where:
Base-Base interactions energy: -213.372
where: short stacking energy: -106.218
Base-Backbone interact. energy: 1.910
local terms energy: -117.130129
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: -26.720
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: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -313.805315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.805315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.805315 (E_RNA)
where:
Base-Base interactions energy: -206.434
where: short stacking energy: -89.372
Base-Backbone interact. energy: -0.008
local terms energy: -107.363727
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -27.275
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -288.653179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.653179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.653179 (E_RNA)
where:
Base-Base interactions energy: -183.346
where: short stacking energy: -84.312
Base-Backbone interact. energy: -1.847
local terms energy: -103.460696
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -28.064
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -22.020
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: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -268.799480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.799480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.799480 (E_RNA)
where:
Base-Base interactions energy: -191.568
where: short stacking energy: -66.547
Base-Backbone interact. energy: -0.654
local terms energy: -76.576883
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -11.986
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: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -248.714251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.714251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.714251 (E_RNA)
where:
Base-Base interactions energy: -157.028
where: short stacking energy: -74.104
Base-Backbone interact. energy: -0.345
local terms energy: -91.340657
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -17.308
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: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -232.362802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.362802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.362802 (E_RNA)
where:
Base-Base interactions energy: -146.137
where: short stacking energy: -76.645
Base-Backbone interact. energy: -0.224
local terms energy: -86.002504
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -210.086934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.086934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.086934 (E_RNA)
where:
Base-Base interactions energy: -124.929
where: short stacking energy: -52.980
Base-Backbone interact. energy: -0.224
local terms energy: -84.934175
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -8.352
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: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -155.297764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.297764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.297764 (E_RNA)
where:
Base-Base interactions energy: -80.285
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.190
local terms energy: -74.823176
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: 2.121
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: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -379.531084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.531084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.531084 (E_RNA)
where:
Base-Base interactions energy: -254.833
where: short stacking energy: -102.180
Base-Backbone interact. energy: -0.756
local terms energy: -123.941940
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -27.382
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -31.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -354.631176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.631176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.631176 (E_RNA)
where:
Base-Base interactions energy: -250.169
where: short stacking energy: -94.956
Base-Backbone interact. energy: 1.743
local terms energy: -106.205235
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -23.551
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: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -310.443949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.443949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.443949 (E_RNA)
where:
Base-Base interactions energy: -190.605
where: short stacking energy: -87.477
Base-Backbone interact. energy: -0.068
local terms energy: -119.770359
where:
bonds (distance) C4'-P energy: -26.633
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -291.359421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.359421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.359421 (E_RNA)
where:
Base-Base interactions energy: -183.248
where: short stacking energy: -80.422
Base-Backbone interact. energy: -0.292
local terms energy: -107.819370
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -282.567517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.567517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.567517 (E_RNA)
where:
Base-Base interactions energy: -184.182
where: short stacking energy: -90.395
Base-Backbone interact. energy: -0.149
local terms energy: -98.236514
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: -23.787
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: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -263.628939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.628939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.628939 (E_RNA)
where:
Base-Base interactions energy: -172.259
where: short stacking energy: -69.800
Base-Backbone interact. energy: 0.179
local terms energy: -91.548945
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -16.233
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: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -279.400479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.400479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.400479 (E_RNA)
where:
Base-Base interactions energy: -174.886
where: short stacking energy: -87.541
Base-Backbone interact. energy: -1.127
local terms energy: -103.387277
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -21.778
tors. eta vs tors. theta energy: -26.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -245.239703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.239703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.239703 (E_RNA)
where:
Base-Base interactions energy: -151.413
where: short stacking energy: -70.280
Base-Backbone interact. energy: -0.454
local terms energy: -93.372132
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -28.541
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -196.372848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.372848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.372848 (E_RNA)
where:
Base-Base interactions energy: -107.912
where: short stacking energy: -54.869
Base-Backbone interact. energy: -0.449
local terms energy: -88.012505
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -226.813596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.813596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.813596 (E_RNA)
where:
Base-Base interactions energy: -147.603
where: short stacking energy: -64.557
Base-Backbone interact. energy: -0.827
local terms energy: -78.383578
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -12.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -380.925532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.925532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.925532 (E_RNA)
where:
Base-Base interactions energy: -259.533
where: short stacking energy: -116.771
Base-Backbone interact. energy: -0.756
local terms energy: -120.636934
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -35.705
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: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -347.715816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.715816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.715816 (E_RNA)
where:
Base-Base interactions energy: -223.264
where: short stacking energy: -95.121
Base-Backbone interact. energy: -1.087
local terms energy: -123.365640
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -28.291
flat angles C4'-P-C4' energy: -26.670
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -305.858900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.858900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.858900 (E_RNA)
where:
Base-Base interactions energy: -191.120
where: short stacking energy: -91.890
Base-Backbone interact. energy: -0.430
local terms energy: -114.308959
where:
bonds (distance) C4'-P energy: -27.672
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -26.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -314.693301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.693301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.693301 (E_RNA)
where:
Base-Base interactions energy: -207.445
where: short stacking energy: -90.871
Base-Backbone interact. energy: -0.142
local terms energy: -107.106717
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -21.157
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: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -275.742260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.742260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.742260 (E_RNA)
where:
Base-Base interactions energy: -173.237
where: short stacking energy: -82.247
Base-Backbone interact. energy: -0.141
local terms energy: -102.364418
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -19.575
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -259.127890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.127890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.127890 (E_RNA)
where:
Base-Base interactions energy: -152.890
where: short stacking energy: -82.530
Base-Backbone interact. energy: -0.111
local terms energy: -106.126709
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -23.298
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: 111
Temperature: 1.200000
Total energy: -272.864734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.864734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.864734 (E_RNA)
where:
Base-Base interactions energy: -184.432
where: short stacking energy: -83.580
Base-Backbone interact. energy: -0.175
local terms energy: -88.257359
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -12.681
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: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -197.876598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.876598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.876598 (E_RNA)
where:
Base-Base interactions energy: -118.343
where: short stacking energy: -57.743
Base-Backbone interact. energy: -0.231
local terms energy: -79.302718
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -12.073
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: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -229.138347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.138347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.138347 (E_RNA)
where:
Base-Base interactions energy: -147.421
where: short stacking energy: -58.175
Base-Backbone interact. energy: -1.429
local terms energy: -80.288707
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -203.107732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.107732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.107732 (E_RNA)
where:
Base-Base interactions energy: -118.524
where: short stacking energy: -48.769
Base-Backbone interact. energy: -0.260
local terms energy: -84.323068
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -386.478539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.478539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.478539 (E_RNA)
where:
Base-Base interactions energy: -252.540
where: short stacking energy: -107.519
Base-Backbone interact. energy: -0.321
local terms energy: -133.617723
where:
bonds (distance) C4'-P energy: -27.977
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -34.084
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: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -333.172725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.172725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.172725 (E_RNA)
where:
Base-Base interactions energy: -216.039
where: short stacking energy: -91.823
Base-Backbone interact. energy: -0.643
local terms energy: -116.491031
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -29.334
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -22.648
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: 3, replica: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -316.345157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.345157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.345157 (E_RNA)
where:
Base-Base interactions energy: -214.967
where: short stacking energy: -92.221
Base-Backbone interact. energy: -0.186
local terms energy: -101.192776
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -289.618630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.618630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.618630 (E_RNA)
where:
Base-Base interactions energy: -186.044
where: short stacking energy: -85.704
Base-Backbone interact. energy: -0.902
local terms energy: -102.672384
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -27.578
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -279.763478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.763478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.763478 (E_RNA)
where:
Base-Base interactions energy: -180.562
where: short stacking energy: -83.841
Base-Backbone interact. energy: -0.103
local terms energy: -99.097932
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -9.555
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: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -251.609092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.609092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.609092 (E_RNA)
where:
Base-Base interactions energy: -173.803
where: short stacking energy: -76.379
Base-Backbone interact. energy: 0.317
local terms energy: -78.122364
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -249.903227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.903227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.903227 (E_RNA)
where:
Base-Base interactions energy: -149.434
where: short stacking energy: -58.710
Base-Backbone interact. energy: -0.453
local terms energy: -100.015961
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -23.100
tors. eta vs tors. theta energy: -11.711
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: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -194.146376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.146376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.146376 (E_RNA)
where:
Base-Base interactions energy: -108.142
where: short stacking energy: -55.125
Base-Backbone interact. energy: 0.806
local terms energy: -86.810370
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -230.311132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.311132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.311132 (E_RNA)
where:
Base-Base interactions energy: -160.234
where: short stacking energy: -83.869
Base-Backbone interact. energy: -0.284
local terms energy: -69.792876
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -11.565
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: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -120.164115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.164115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.164115 (E_RNA)
where:
Base-Base interactions energy: -44.443
where: short stacking energy: -31.446
Base-Backbone interact. energy: 0.830
local terms energy: -76.550883
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -3.901
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: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -383.092568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.092568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.092568 (E_RNA)
where:
Base-Base interactions energy: -256.915
where: short stacking energy: -105.705
Base-Backbone interact. energy: -0.832
local terms energy: -125.345405
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -34.038
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: 113
Temperature: 0.950000
Total energy: -328.118941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.118941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.118941 (E_RNA)
where:
Base-Base interactions energy: -206.544
where: short stacking energy: -89.146
Base-Backbone interact. energy: -0.395
local terms energy: -121.179722
where:
bonds (distance) C4'-P energy: -25.031
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -27.413
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -22.943
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: 113
Temperature: 1.000000
Total energy: -310.863480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.863480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.863480 (E_RNA)
where:
Base-Base interactions energy: -192.578
where: short stacking energy: -86.309
Base-Backbone interact. energy: -0.769
local terms energy: -117.516163
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -26.310
flat angles C4'-P-C4' energy: -25.765
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -25.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -289.067334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.067334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.067334 (E_RNA)
where:
Base-Base interactions energy: -187.770
where: short stacking energy: -96.295
Base-Backbone interact. energy: -0.464
local terms energy: -100.833344
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -21.407
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: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -310.062220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.062220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.062220 (E_RNA)
where:
Base-Base interactions energy: -205.623
where: short stacking energy: -81.464
Base-Backbone interact. energy: -0.012
local terms energy: -104.426500
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -23.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -282.640322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.640322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.640322 (E_RNA)
where:
Base-Base interactions energy: -179.488
where: short stacking energy: -78.096
Base-Backbone interact. energy: -1.500
local terms energy: -101.652447
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -223.125802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.125802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.125802 (E_RNA)
where:
Base-Base interactions energy: -125.842
where: short stacking energy: -64.121
Base-Backbone interact. energy: 0.686
local terms energy: -97.969420
where:
bonds (distance) C4'-P energy: -26.285
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -238.965973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.965973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.965973 (E_RNA)
where:
Base-Base interactions energy: -161.567
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.406
local terms energy: -76.993397
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -14.336
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: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -182.846865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.846865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.846865 (E_RNA)
where:
Base-Base interactions energy: -104.420
where: short stacking energy: -47.384
Base-Backbone interact. energy: -0.841
local terms energy: -77.585492
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -8.894
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: 10, replica: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -122.207285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.207285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.207285 (E_RNA)
where:
Base-Base interactions energy: -47.884
where: short stacking energy: -38.399
Base-Backbone interact. energy: -0.181
local terms energy: -74.142323
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -0.186
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: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -375.867479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.867479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.867479 (E_RNA)
where:
Base-Base interactions energy: -253.265
where: short stacking energy: -104.031
Base-Backbone interact. energy: -0.690
local terms energy: -121.913445
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -25.456
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -30.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -337.462653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.462653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.462653 (E_RNA)
where:
Base-Base interactions energy: -224.975
where: short stacking energy: -95.350
Base-Backbone interact. energy: -1.761
local terms energy: -110.726527
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -294.124884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.124884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.124884 (E_RNA)
where:
Base-Base interactions energy: -187.389
where: short stacking energy: -88.752
Base-Backbone interact. energy: -2.103
local terms energy: -104.633279
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -306.714634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.714634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.714634 (E_RNA)
where:
Base-Base interactions energy: -196.011
where: short stacking energy: -89.319
Base-Backbone interact. energy: 0.445
local terms energy: -111.148161
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -307.713872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.713872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.713872 (E_RNA)
where:
Base-Base interactions energy: -201.945
where: short stacking energy: -87.244
Base-Backbone interact. energy: -0.089
local terms energy: -105.679583
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -26.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -266.477320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.477320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.477320 (E_RNA)
where:
Base-Base interactions energy: -167.465
where: short stacking energy: -66.716
Base-Backbone interact. energy: 0.277
local terms energy: -99.289263
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: -10.302
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: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -252.540071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.540071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.540071 (E_RNA)
where:
Base-Base interactions energy: -175.031
where: short stacking energy: -79.585
Base-Backbone interact. energy: 1.722
local terms energy: -79.230812
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -253.102304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.102304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.102304 (E_RNA)
where:
Base-Base interactions energy: -168.901
where: short stacking energy: -77.825
Base-Backbone interact. energy: 3.139
local terms energy: -87.340265
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -12.697
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: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -171.480495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.480495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.480495 (E_RNA)
where:
Base-Base interactions energy: -101.581
where: short stacking energy: -49.991
Base-Backbone interact. energy: -0.122
local terms energy: -69.777893
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -11.011
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: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -118.130901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.130901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.130901 (E_RNA)
where:
Base-Base interactions energy: -53.008
where: short stacking energy: -33.549
Base-Backbone interact. energy: -0.197
local terms energy: -64.925823
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: 1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -372.463690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.463690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.463690 (E_RNA)
where:
Base-Base interactions energy: -248.705
where: short stacking energy: -105.821
Base-Backbone interact. energy: -0.477
local terms energy: -123.281713
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -35.855
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: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -348.044603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.044603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.044603 (E_RNA)
where:
Base-Base interactions energy: -228.057
where: short stacking energy: -90.375
Base-Backbone interact. energy: -1.283
local terms energy: -118.704577
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -30.400
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: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -313.210623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.210623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.210623 (E_RNA)
where:
Base-Base interactions energy: -193.015
where: short stacking energy: -99.222
Base-Backbone interact. energy: -0.435
local terms energy: -119.760308
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -296.070805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.070805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.070805 (E_RNA)
where:
Base-Base interactions energy: -184.585
where: short stacking energy: -88.074
Base-Backbone interact. energy: 0.220
local terms energy: -111.705276
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -27.560
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -288.559720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.559720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.559720 (E_RNA)
where:
Base-Base interactions energy: -176.641
where: short stacking energy: -63.391
Base-Backbone interact. energy: -2.446
local terms energy: -109.472407
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -27.950
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -293.971707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.971707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.971707 (E_RNA)
where:
Base-Base interactions energy: -194.751
where: short stacking energy: -82.957
Base-Backbone interact. energy: 0.760
local terms energy: -99.981164
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -26.764
flat angles C4'-P-C4' energy: -23.649
flat angles P-C4'-P energy: -14.820
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: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -270.797549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.797549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.797549 (E_RNA)
where:
Base-Base interactions energy: -172.815
where: short stacking energy: -74.441
Base-Backbone interact. energy: -0.904
local terms energy: -97.078776
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -182.887160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.887160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.887160 (E_RNA)
where:
Base-Base interactions energy: -97.429
where: short stacking energy: -47.051
Base-Backbone interact. energy: -1.072
local terms energy: -84.385647
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -246.952253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.952253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.952253 (E_RNA)
where:
Base-Base interactions energy: -152.655
where: short stacking energy: -74.299
Base-Backbone interact. energy: -0.986
local terms energy: -93.311168
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -123.254872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.254872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.254872 (E_RNA)
where:
Base-Base interactions energy: -43.236
where: short stacking energy: -35.297
Base-Backbone interact. energy: 0.193
local terms energy: -80.211410
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -14.047
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: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -374.631503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.631503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.631503 (E_RNA)
where:
Base-Base interactions energy: -248.764
where: short stacking energy: -103.666
Base-Backbone interact. energy: 0.403
local terms energy: -126.270005
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -27.297
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -36.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -328.828332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.828332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.828332 (E_RNA)
where:
Base-Base interactions energy: -210.679
where: short stacking energy: -99.405
Base-Backbone interact. energy: 1.333
local terms energy: -119.482261
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -29.189
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: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -298.789014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.789014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.789014 (E_RNA)
where:
Base-Base interactions energy: -204.704
where: short stacking energy: -88.379
Base-Backbone interact. energy: -1.242
local terms energy: -92.842212
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -303.453848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.453848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.453848 (E_RNA)
where:
Base-Base interactions energy: -202.141
where: short stacking energy: -73.969
Base-Backbone interact. energy: -0.426
local terms energy: -100.886932
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -26.106
flat angles P-C4'-P energy: -14.639
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: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -303.863204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.863204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.863204 (E_RNA)
where:
Base-Base interactions energy: -202.304
where: short stacking energy: -100.402
Base-Backbone interact. energy: -0.329
local terms energy: -101.230591
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -279.259803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.259803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.259803 (E_RNA)
where:
Base-Base interactions energy: -171.421
where: short stacking energy: -76.183
Base-Backbone interact. energy: -0.734
local terms energy: -107.104554
where:
bonds (distance) C4'-P energy: -25.810
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -275.421606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.421606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.421606 (E_RNA)
where:
Base-Base interactions energy: -183.906
where: short stacking energy: -80.542
Base-Backbone interact. energy: -0.223
local terms energy: -91.292269
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -156.718172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.718172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.718172 (E_RNA)
where:
Base-Base interactions energy: -84.974
where: short stacking energy: -41.475
Base-Backbone interact. energy: -0.968
local terms energy: -70.776078
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -226.216448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.216448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.216448 (E_RNA)
where:
Base-Base interactions energy: -147.554
where: short stacking energy: -72.455
Base-Backbone interact. energy: -0.277
local terms energy: -78.385286
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -13.088
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: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -121.835409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.835409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.835409 (E_RNA)
where:
Base-Base interactions energy: -51.099
where: short stacking energy: -47.840
Base-Backbone interact. energy: -0.242
local terms energy: -70.494691
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -383.056916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.056916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.056916 (E_RNA)
where:
Base-Base interactions energy: -261.420
where: short stacking energy: -113.213
Base-Backbone interact. energy: -0.407
local terms energy: -121.229970
where:
bonds (distance) C4'-P energy: -26.345
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -24.711
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -34.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -303.143904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.143904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.143904 (E_RNA)
where:
Base-Base interactions energy: -185.581
where: short stacking energy: -76.175
Base-Backbone interact. energy: -0.901
local terms energy: -116.661736
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -22.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -312.593611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.593611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.593611 (E_RNA)
where:
Base-Base interactions energy: -190.476
where: short stacking energy: -96.553
Base-Backbone interact. energy: -0.484
local terms energy: -121.634311
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -32.096
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: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -310.104260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.104260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.104260 (E_RNA)
where:
Base-Base interactions energy: -208.203
where: short stacking energy: -95.415
Base-Backbone interact. energy: -0.460
local terms energy: -101.441257
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -25.517
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -290.919145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.919145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.919145 (E_RNA)
where:
Base-Base interactions energy: -178.868
where: short stacking energy: -79.604
Base-Backbone interact. energy: -0.654
local terms energy: -111.396386
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -28.277
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -24.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -286.173604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.173604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.173604 (E_RNA)
where:
Base-Base interactions energy: -198.107
where: short stacking energy: -74.875
Base-Backbone interact. energy: -0.219
local terms energy: -87.847580
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -14.270
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: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -274.750204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.750204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.750204 (E_RNA)
where:
Base-Base interactions energy: -181.528
where: short stacking energy: -85.529
Base-Backbone interact. energy: -0.136
local terms energy: -93.086116
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -20.969
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: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -234.675812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.675812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.675812 (E_RNA)
where:
Base-Base interactions energy: -142.818
where: short stacking energy: -66.198
Base-Backbone interact. energy: -0.266
local terms energy: -91.591718
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -14.960
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: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -128.363002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.363002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.363002 (E_RNA)
where:
Base-Base interactions energy: -68.922
where: short stacking energy: -37.511
Base-Backbone interact. energy: -0.651
local terms energy: -58.790142
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: 3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -107.212622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.212622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.212622 (E_RNA)
where:
Base-Base interactions energy: -31.172
where: short stacking energy: -26.356
Base-Backbone interact. energy: 0.322
local terms energy: -76.362295
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -16.388
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: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -372.738769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.738769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.738769 (E_RNA)
where:
Base-Base interactions energy: -252.384
where: short stacking energy: -90.325
Base-Backbone interact. energy: -0.125
local terms energy: -120.229152
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -31.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -320.119722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.119722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.119722 (E_RNA)
where:
Base-Base interactions energy: -202.121
where: short stacking energy: -93.105
Base-Backbone interact. energy: 0.275
local terms energy: -118.273297
where:
bonds (distance) C4'-P energy: -24.124
bonds (distance) P-C4' energy: -28.401
flat angles C4'-P-C4' energy: -26.979
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -24.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -323.247365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.247365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.247365 (E_RNA)
where:
Base-Base interactions energy: -213.523
where: short stacking energy: -90.415
Base-Backbone interact. energy: -1.629
local terms energy: -108.094575
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -20.034
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: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -298.190238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.190238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.190238 (E_RNA)
where:
Base-Base interactions energy: -190.801
where: short stacking energy: -85.668
Base-Backbone interact. energy: 1.349
local terms energy: -108.738304
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -21.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -277.939767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.939767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.939767 (E_RNA)
where:
Base-Base interactions energy: -169.684
where: short stacking energy: -73.649
Base-Backbone interact. energy: -1.390
local terms energy: -106.866533
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -28.002
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -15.508
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: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -271.891353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.891353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.891353 (E_RNA)
where:
Base-Base interactions energy: -168.055
where: short stacking energy: -82.300
Base-Backbone interact. energy: -0.746
local terms energy: -103.090405
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -251.336992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.336992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.336992 (E_RNA)
where:
Base-Base interactions energy: -156.335
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.245
local terms energy: -94.757652
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -13.127
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: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -230.348883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.348883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.348883 (E_RNA)
where:
Base-Base interactions energy: -131.327
where: short stacking energy: -72.852
Base-Backbone interact. energy: 0.208
local terms energy: -99.229653
where:
bonds (distance) C4'-P energy: -24.558
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -133.343920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.343920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.343920 (E_RNA)
where:
Base-Base interactions energy: -51.386
where: short stacking energy: -36.708
Base-Backbone interact. energy: -0.456
local terms energy: -81.502108
where:
bonds (distance) C4'-P energy: -28.338
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -124.207280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.207280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.207280 (E_RNA)
where:
Base-Base interactions energy: -49.404
where: short stacking energy: -30.809
Base-Backbone interact. energy: 0.286
local terms energy: -75.089865
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -13.219
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: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -389.348372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.348372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.348372 (E_RNA)
where:
Base-Base interactions energy: -263.938
where: short stacking energy: -109.572
Base-Backbone interact. energy: 0.159
local terms energy: -125.569440
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -26.867
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -31.753
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: 119
Temperature: 0.950000
Total energy: -313.002430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.002430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.002430 (E_RNA)
where:
Base-Base interactions energy: -208.781
where: short stacking energy: -93.524
Base-Backbone interact. energy: 2.094
local terms energy: -106.315073
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -313.079054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.079054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.079054 (E_RNA)
where:
Base-Base interactions energy: -204.489
where: short stacking energy: -85.861
Base-Backbone interact. energy: -0.204
local terms energy: -108.385458
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -288.340312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.340312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.340312 (E_RNA)
where:
Base-Base interactions energy: -182.240
where: short stacking energy: -93.402
Base-Backbone interact. energy: -0.210
local terms energy: -105.890995
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -269.323888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.323888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.323888 (E_RNA)
where:
Base-Base interactions energy: -169.784
where: short stacking energy: -78.244
Base-Backbone interact. energy: -0.170
local terms energy: -99.370155
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -21.179
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: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -276.838294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.838294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.838294 (E_RNA)
where:
Base-Base interactions energy: -185.464
where: short stacking energy: -69.684
Base-Backbone interact. energy: -0.339
local terms energy: -91.034642
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -10.987
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: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -256.415190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.415190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.415190 (E_RNA)
where:
Base-Base interactions energy: -165.438
where: short stacking energy: -77.677
Base-Backbone interact. energy: -0.297
local terms energy: -90.680607
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -14.525
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: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -246.931487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.931487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.931487 (E_RNA)
where:
Base-Base interactions energy: -153.998
where: short stacking energy: -72.180
Base-Backbone interact. energy: -0.153
local terms energy: -92.780215
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -15.873
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: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -128.351208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.351208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.351208 (E_RNA)
where:
Base-Base interactions energy: -50.240
where: short stacking energy: -43.148
Base-Backbone interact. energy: 0.281
local terms energy: -78.391623
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -8.485
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -111.058237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.058237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.058237 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -37.752
Base-Backbone interact. energy: -0.640
local terms energy: -65.123957
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: 9.009
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: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -375.067388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.067388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.067388 (E_RNA)
where:
Base-Base interactions energy: -249.353
where: short stacking energy: -105.776
Base-Backbone interact. energy: -0.119
local terms energy: -125.595357
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -28.019
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -33.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -326.871149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.871149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.871149 (E_RNA)
where:
Base-Base interactions energy: -212.625
where: short stacking energy: -91.291
Base-Backbone interact. energy: -0.355
local terms energy: -113.890907
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -26.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -308.566859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.566859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.566859 (E_RNA)
where:
Base-Base interactions energy: -207.564
where: short stacking energy: -93.292
Base-Backbone interact. energy: -0.157
local terms energy: -100.846245
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -25.517
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -305.767643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.767643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.767643 (E_RNA)
where:
Base-Base interactions energy: -198.298
where: short stacking energy: -96.832
Base-Backbone interact. energy: 0.094
local terms energy: -107.563743
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -283.245411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.245411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.245411 (E_RNA)
where:
Base-Base interactions energy: -182.284
where: short stacking energy: -72.637
Base-Backbone interact. energy: -0.122
local terms energy: -100.839323
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -20.561
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -282.746564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.746564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.746564 (E_RNA)
where:
Base-Base interactions energy: -172.679
where: short stacking energy: -83.361
Base-Backbone interact. energy: -0.998
local terms energy: -109.070278
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -22.571
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: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -268.120833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.120833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.120833 (E_RNA)
where:
Base-Base interactions energy: -162.799
where: short stacking energy: -83.360
Base-Backbone interact. energy: -0.054
local terms energy: -105.267793
where:
bonds (distance) C4'-P energy: -22.919
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -27.374
flat angles P-C4'-P energy: -14.941
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: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -238.266100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.266100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.266100 (E_RNA)
where:
Base-Base interactions energy: -160.193
where: short stacking energy: -65.093
Base-Backbone interact. energy: -0.438
local terms energy: -77.634942
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -4.375
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: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -121.596250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.596250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.596250 (E_RNA)
where:
Base-Base interactions energy: -45.545
where: short stacking energy: -38.062
Base-Backbone interact. energy: -0.436
local terms energy: -75.615421
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -133.581804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.581804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.581804 (E_RNA)
where:
Base-Base interactions energy: -64.008
where: short stacking energy: -56.280
Base-Backbone interact. energy: 0.938
local terms energy: -70.511345
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.420
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: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -367.393372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.393372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.393372 (E_RNA)
where:
Base-Base interactions energy: -247.693
where: short stacking energy: -106.708
Base-Backbone interact. energy: -0.846
local terms energy: -118.854074
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -20.535
tors. eta vs tors. theta energy: -28.066
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: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -331.679066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.679066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.679066 (E_RNA)
where:
Base-Base interactions energy: -215.117
where: short stacking energy: -93.234
Base-Backbone interact. energy: -0.036
local terms energy: -116.525878
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -28.323
flat angles C4'-P-C4' energy: -29.254
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -334.609456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.609456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.609456 (E_RNA)
where:
Base-Base interactions energy: -208.628
where: short stacking energy: -100.520
Base-Backbone interact. energy: -0.003
local terms energy: -125.979074
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -32.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -293.577268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.577268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.577268 (E_RNA)
where:
Base-Base interactions energy: -196.392
where: short stacking energy: -86.864
Base-Backbone interact. energy: 0.512
local terms energy: -97.697965
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -23.876
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -19.183
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: 121
Temperature: 1.100000
Total energy: -291.759149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.759149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.759149 (E_RNA)
where:
Base-Base interactions energy: -189.505
where: short stacking energy: -77.034
Base-Backbone interact. energy: -0.696
local terms energy: -101.557847
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -263.573395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.573395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.573395 (E_RNA)
where:
Base-Base interactions energy: -162.704
where: short stacking energy: -73.721
Base-Backbone interact. energy: -0.861
local terms energy: -100.008358
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -16.232
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: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -257.318714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.318714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.318714 (E_RNA)
where:
Base-Base interactions energy: -156.250
where: short stacking energy: -71.846
Base-Backbone interact. energy: -0.160
local terms energy: -100.908948
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -254.808667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.808667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.808667 (E_RNA)
where:
Base-Base interactions energy: -157.259
where: short stacking energy: -77.993
Base-Backbone interact. energy: -0.085
local terms energy: -97.464659
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -24.043
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -21.711
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: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -113.959119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.959119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.959119 (E_RNA)
where:
Base-Base interactions energy: -47.317
where: short stacking energy: -43.794
Base-Backbone interact. energy: 1.939
local terms energy: -68.581342
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: 2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -114.823891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.823891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.823891 (E_RNA)
where:
Base-Base interactions energy: -57.785
where: short stacking energy: -38.130
Base-Backbone interact. energy: 2.262
local terms energy: -59.301339
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -3.809
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: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -368.871858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.871858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.871858 (E_RNA)
where:
Base-Base interactions energy: -236.998
where: short stacking energy: -106.990
Base-Backbone interact. energy: 0.615
local terms energy: -132.488158
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -28.275
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -31.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -333.015066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.015066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.015066 (E_RNA)
where:
Base-Base interactions energy: -217.424
where: short stacking energy: -101.404
Base-Backbone interact. energy: -0.154
local terms energy: -115.437182
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -311.610340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.610340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.610340 (E_RNA)
where:
Base-Base interactions energy: -199.466
where: short stacking energy: -77.052
Base-Backbone interact. energy: -1.783
local terms energy: -110.361860
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -24.577
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: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -278.483632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.483632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.483632 (E_RNA)
where:
Base-Base interactions energy: -180.727
where: short stacking energy: -84.557
Base-Backbone interact. energy: -0.831
local terms energy: -96.925916
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -10.674
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: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -282.788322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.788322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.788322 (E_RNA)
where:
Base-Base interactions energy: -182.432
where: short stacking energy: -85.834
Base-Backbone interact. energy: -0.193
local terms energy: -100.164199
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -14.286
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: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -297.817853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.817853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.817853 (E_RNA)
where:
Base-Base interactions energy: -173.770
where: short stacking energy: -81.200
Base-Backbone interact. energy: -0.510
local terms energy: -123.538304
where:
bonds (distance) C4'-P energy: -29.012
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -26.578
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: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -247.911582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.911582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.911582 (E_RNA)
where:
Base-Base interactions energy: -159.437
where: short stacking energy: -61.808
Base-Backbone interact. energy: -0.514
local terms energy: -87.959993
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -8.772
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: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -237.770412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.770412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.770412 (E_RNA)
where:
Base-Base interactions energy: -141.097
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.596
local terms energy: -96.077532
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -12.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -120.651753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.651753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.651753 (E_RNA)
where:
Base-Base interactions energy: -45.853
where: short stacking energy: -32.011
Base-Backbone interact. energy: -0.115
local terms energy: -74.683471
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -15.718
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: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -114.998214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.998214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.998214 (E_RNA)
where:
Base-Base interactions energy: -46.609
where: short stacking energy: -27.893
Base-Backbone interact. energy: -1.658
local terms energy: -66.731088
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -382.659783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.659783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.659783 (E_RNA)
where:
Base-Base interactions energy: -246.976
where: short stacking energy: -107.161
Base-Backbone interact. energy: -0.501
local terms energy: -135.183369
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -29.064
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: -32.881
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: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -341.305039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.305039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.305039 (E_RNA)
where:
Base-Base interactions energy: -216.253
where: short stacking energy: -112.095
Base-Backbone interact. energy: -0.317
local terms energy: -124.734554
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -32.904
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: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -298.320943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.320943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.320943 (E_RNA)
where:
Base-Base interactions energy: -183.426
where: short stacking energy: -90.968
Base-Backbone interact. energy: -0.625
local terms energy: -114.270349
where:
bonds (distance) C4'-P energy: -25.196
bonds (distance) P-C4' energy: -26.643
flat angles C4'-P-C4' energy: -23.494
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -22.743
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: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -286.827755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.827755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.827755 (E_RNA)
where:
Base-Base interactions energy: -170.736
where: short stacking energy: -92.992
Base-Backbone interact. energy: -0.120
local terms energy: -115.972111
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -26.351
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: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -292.771244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.771244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.771244 (E_RNA)
where:
Base-Base interactions energy: -180.076
where: short stacking energy: -79.166
Base-Backbone interact. energy: -1.318
local terms energy: -111.377469
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -21.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -247.282172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.282172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.282172 (E_RNA)
where:
Base-Base interactions energy: -146.093
where: short stacking energy: -78.531
Base-Backbone interact. energy: -0.489
local terms energy: -100.700214
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -21.913
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: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -282.758400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.758400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.758400 (E_RNA)
where:
Base-Base interactions energy: -171.337
where: short stacking energy: -77.084
Base-Backbone interact. energy: -0.053
local terms energy: -111.368496
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -18.850
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: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -247.839022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.839022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.839022 (E_RNA)
where:
Base-Base interactions energy: -155.845
where: short stacking energy: -74.913
Base-Backbone interact. energy: 1.014
local terms energy: -93.008289
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -123.577399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.577399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.577399 (E_RNA)
where:
Base-Base interactions energy: -38.894
where: short stacking energy: -35.012
Base-Backbone interact. energy: -0.293
local terms energy: -84.390506
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: 1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -113.233370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.233370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.233370 (E_RNA)
where:
Base-Base interactions energy: -44.470
where: short stacking energy: -30.664
Base-Backbone interact. energy: -0.251
local terms energy: -68.512700
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -383.266943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.266943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.266943 (E_RNA)
where:
Base-Base interactions energy: -252.729
where: short stacking energy: -120.432
Base-Backbone interact. energy: 0.289
local terms energy: -130.826607
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -27.286
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: -35.206
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: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -328.811334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.811334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.811334 (E_RNA)
where:
Base-Base interactions energy: -216.906
where: short stacking energy: -94.136
Base-Backbone interact. energy: -0.141
local terms energy: -111.764199
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -14.725
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: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -308.088514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.088514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.088514 (E_RNA)
where:
Base-Base interactions energy: -193.959
where: short stacking energy: -95.433
Base-Backbone interact. energy: -0.009
local terms energy: -114.120103
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -28.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -312.114403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.114403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.114403 (E_RNA)
where:
Base-Base interactions energy: -205.427
where: short stacking energy: -84.675
Base-Backbone interact. energy: -0.171
local terms energy: -106.515802
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -292.571739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.571739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.571739 (E_RNA)
where:
Base-Base interactions energy: -185.263
where: short stacking energy: -83.292
Base-Backbone interact. energy: 0.417
local terms energy: -107.725614
where:
bonds (distance) C4'-P energy: -27.920
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -24.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -268.840672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.840672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.840672 (E_RNA)
where:
Base-Base interactions energy: -164.286
where: short stacking energy: -88.893
Base-Backbone interact. energy: -0.032
local terms energy: -104.522812
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -255.027663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.027663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.027663 (E_RNA)
where:
Base-Base interactions energy: -154.687
where: short stacking energy: -75.947
Base-Backbone interact. energy: -0.799
local terms energy: -99.541879
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -230.919299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.919299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.919299 (E_RNA)
where:
Base-Base interactions energy: -142.374
where: short stacking energy: -62.350
Base-Backbone interact. energy: 1.185
local terms energy: -89.730286
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -8.279
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: 124
Temperature: 1.300000
Total energy: -127.840526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.840526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.840526 (E_RNA)
where:
Base-Base interactions energy: -48.786
where: short stacking energy: -43.370
Base-Backbone interact. energy: -0.682
local terms energy: -78.372256
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -123.825930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.825930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.825930 (E_RNA)
where:
Base-Base interactions energy: -45.118
where: short stacking energy: -45.118
Base-Backbone interact. energy: -1.233
local terms energy: -77.474290
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -362.462982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.462982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.462982 (E_RNA)
where:
Base-Base interactions energy: -246.954
where: short stacking energy: -111.392
Base-Backbone interact. energy: -0.228
local terms energy: -115.280499
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -31.757
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: 125
Temperature: 0.950000
Total energy: -320.766081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.766081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.766081 (E_RNA)
where:
Base-Base interactions energy: -203.159
where: short stacking energy: -102.246
Base-Backbone interact. energy: -2.049
local terms energy: -115.557949
where:
bonds (distance) C4'-P energy: -23.988
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -24.764
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -33.659
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: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -333.873871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.873871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.873871 (E_RNA)
where:
Base-Base interactions energy: -231.886
where: short stacking energy: -87.641
Base-Backbone interact. energy: -1.496
local terms energy: -100.491268
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -25.312
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -318.342875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.342875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.342875 (E_RNA)
where:
Base-Base interactions energy: -210.331
where: short stacking energy: -87.432
Base-Backbone interact. energy: -0.939
local terms energy: -107.072149
where:
bonds (distance) C4'-P energy: -24.603
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -15.630
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: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -302.867038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.867038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.867038 (E_RNA)
where:
Base-Base interactions energy: -189.658
where: short stacking energy: -94.711
Base-Backbone interact. energy: 0.140
local terms energy: -113.349476
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -26.312
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -25.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -263.378236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.378236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.378236 (E_RNA)
where:
Base-Base interactions energy: -164.824
where: short stacking energy: -84.570
Base-Backbone interact. energy: -0.060
local terms energy: -98.494014
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -259.175445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.175445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.175445 (E_RNA)
where:
Base-Base interactions energy: -166.538
where: short stacking energy: -71.428
Base-Backbone interact. energy: 0.738
local terms energy: -93.376333
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -241.502788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.502788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.502788 (E_RNA)
where:
Base-Base interactions energy: -151.603
where: short stacking energy: -59.681
Base-Backbone interact. energy: -0.959
local terms energy: -88.940226
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -154.982899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.982899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.982899 (E_RNA)
where:
Base-Base interactions energy: -94.387
where: short stacking energy: -40.341
Base-Backbone interact. energy: -0.414
local terms energy: -60.182404
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: 3.305
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: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -121.161299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.161299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.161299 (E_RNA)
where:
Base-Base interactions energy: -47.206
where: short stacking energy: -31.649
Base-Backbone interact. energy: -0.161
local terms energy: -73.794331
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: 4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -379.420808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.420808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.420808 (E_RNA)
where:
Base-Base interactions energy: -255.024
where: short stacking energy: -101.796
Base-Backbone interact. energy: 0.328
local terms energy: -124.724146
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -27.949
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -322.912929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.912929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.912929 (E_RNA)
where:
Base-Base interactions energy: -208.205
where: short stacking energy: -96.620
Base-Backbone interact. energy: 0.004
local terms energy: -114.711143
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -28.193
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: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -299.435853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.435853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.435853 (E_RNA)
where:
Base-Base interactions energy: -192.902
where: short stacking energy: -91.625
Base-Backbone interact. energy: -0.143
local terms energy: -106.390682
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -16.747
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: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -323.987980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.987980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.987980 (E_RNA)
where:
Base-Base interactions energy: -212.413
where: short stacking energy: -86.883
Base-Backbone interact. energy: -1.205
local terms energy: -110.369385
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -26.877
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -23.568
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: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -284.973343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.973343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.973343 (E_RNA)
where:
Base-Base interactions energy: -187.488
where: short stacking energy: -78.387
Base-Backbone interact. energy: -0.322
local terms energy: -97.163453
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -256.122067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.122067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.122067 (E_RNA)
where:
Base-Base interactions energy: -160.748
where: short stacking energy: -70.220
Base-Backbone interact. energy: -0.444
local terms energy: -94.929935
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -27.343
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -255.327901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.327901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.327901 (E_RNA)
where:
Base-Base interactions energy: -166.577
where: short stacking energy: -82.600
Base-Backbone interact. energy: 2.041
local terms energy: -90.791223
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -25.192
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: 126
Temperature: 1.250000
Total energy: -243.413900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.413900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.413900 (E_RNA)
where:
Base-Base interactions energy: -154.909
where: short stacking energy: -46.727
Base-Backbone interact. energy: -1.130
local terms energy: -87.375183
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -156.531525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.531525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.531525 (E_RNA)
where:
Base-Base interactions energy: -77.570
where: short stacking energy: -46.487
Base-Backbone interact. energy: -1.436
local terms energy: -77.525606
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -0.333
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: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -115.664209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.664209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.664209 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -33.490
Base-Backbone interact. energy: -0.382
local terms energy: -76.324681
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -29.987
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: 5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -377.220408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.220408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.220408 (E_RNA)
where:
Base-Base interactions energy: -256.645
where: short stacking energy: -115.975
Base-Backbone interact. energy: -0.791
local terms energy: -119.784559
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -24.487
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -29.678
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: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -329.847490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.847490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.847490 (E_RNA)
where:
Base-Base interactions energy: -206.639
where: short stacking energy: -98.427
Base-Backbone interact. energy: -0.803
local terms energy: -122.405854
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -27.399
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -29.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -304.569612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.569612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.569612 (E_RNA)
where:
Base-Base interactions energy: -197.810
where: short stacking energy: -77.854
Base-Backbone interact. energy: -1.431
local terms energy: -105.328591
where:
bonds (distance) C4'-P energy: -26.003
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -288.900718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.900718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.900718 (E_RNA)
where:
Base-Base interactions energy: -183.914
where: short stacking energy: -76.748
Base-Backbone interact. energy: -0.281
local terms energy: -104.706568
where:
bonds (distance) C4'-P energy: -26.607
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -271.607846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.607846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.607846 (E_RNA)
where:
Base-Base interactions energy: -172.849
where: short stacking energy: -75.307
Base-Backbone interact. energy: -0.204
local terms energy: -98.554255
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -15.916
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: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -284.389163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.389163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.389163 (E_RNA)
where:
Base-Base interactions energy: -186.022
where: short stacking energy: -85.779
Base-Backbone interact. energy: 2.233
local terms energy: -100.600125
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -248.665795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.665795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.665795 (E_RNA)
where:
Base-Base interactions energy: -162.353
where: short stacking energy: -81.787
Base-Backbone interact. energy: 1.292
local terms energy: -87.604460
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -255.795043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.795043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.795043 (E_RNA)
where:
Base-Base interactions energy: -161.532
where: short stacking energy: -63.377
Base-Backbone interact. energy: 0.948
local terms energy: -95.211080
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -16.867
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -145.675094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.675094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.675094 (E_RNA)
where:
Base-Base interactions energy: -54.738
where: short stacking energy: -44.957
Base-Backbone interact. energy: -0.446
local terms energy: -90.490970
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -12.777
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: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -111.115698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.115698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.115698 (E_RNA)
where:
Base-Base interactions energy: -44.187
where: short stacking energy: -25.633
Base-Backbone interact. energy: -0.353
local terms energy: -66.574814
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: 8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -381.498535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.498535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.498535 (E_RNA)
where:
Base-Base interactions energy: -257.198
where: short stacking energy: -109.846
Base-Backbone interact. energy: -0.529
local terms energy: -123.771501
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -32.937
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: 128
Temperature: 0.950000
Total energy: -335.383544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.383544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.383544 (E_RNA)
where:
Base-Base interactions energy: -224.983
where: short stacking energy: -88.717
Base-Backbone interact. energy: -0.533
local terms energy: -109.867541
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -25.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -321.451373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.451373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.451373 (E_RNA)
where:
Base-Base interactions energy: -210.013
where: short stacking energy: -98.974
Base-Backbone interact. energy: -0.382
local terms energy: -111.056623
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -25.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -320.449873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.449873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.449873 (E_RNA)
where:
Base-Base interactions energy: -199.387
where: short stacking energy: -103.030
Base-Backbone interact. energy: -0.097
local terms energy: -120.966107
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -294.309671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.309671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.309671 (E_RNA)
where:
Base-Base interactions energy: -191.415
where: short stacking energy: -105.326
Base-Backbone interact. energy: -0.163
local terms energy: -102.731180
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -28.737
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: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -264.412924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.412924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.412924 (E_RNA)
where:
Base-Base interactions energy: -170.080
where: short stacking energy: -85.993
Base-Backbone interact. energy: -0.213
local terms energy: -94.120065
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -17.131
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: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -264.952184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.952184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.952184 (E_RNA)
where:
Base-Base interactions energy: -170.746
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.078
local terms energy: -94.128333
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -17.586
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: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -255.136575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.136575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.136575 (E_RNA)
where:
Base-Base interactions energy: -164.182
where: short stacking energy: -65.364
Base-Backbone interact. energy: -0.065
local terms energy: -90.889200
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -120.797612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.797612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.797612 (E_RNA)
where:
Base-Base interactions energy: -48.776
where: short stacking energy: -42.477
Base-Backbone interact. energy: -1.815
local terms energy: -70.207235
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -111.961300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.961300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.961300 (E_RNA)
where:
Base-Base interactions energy: -39.400
where: short stacking energy: -39.301
Base-Backbone interact. energy: -0.252
local terms energy: -72.309389
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -7.187
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: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -376.511442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.511442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.511442 (E_RNA)
where:
Base-Base interactions energy: -247.761
where: short stacking energy: -106.066
Base-Backbone interact. energy: -0.233
local terms energy: -128.516779
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -21.228
tors. eta vs tors. theta energy: -33.720
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: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -312.765196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.765196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.765196 (E_RNA)
where:
Base-Base interactions energy: -197.819
where: short stacking energy: -91.892
Base-Backbone interact. energy: -0.257
local terms energy: -114.689601
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -24.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -300.541995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.541995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.541995 (E_RNA)
where:
Base-Base interactions energy: -186.911
where: short stacking energy: -93.039
Base-Backbone interact. energy: -0.018
local terms energy: -113.613510
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -312.103402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.103402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.103402 (E_RNA)
where:
Base-Base interactions energy: -199.033
where: short stacking energy: -94.629
Base-Backbone interact. energy: -1.747
local terms energy: -111.322596
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -28.607
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: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -299.001046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.001046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.001046 (E_RNA)
where:
Base-Base interactions energy: -184.346
where: short stacking energy: -95.488
Base-Backbone interact. energy: -1.151
local terms energy: -113.503729
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -30.236
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: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -288.862299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.862299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.862299 (E_RNA)
where:
Base-Base interactions energy: -190.534
where: short stacking energy: -97.621
Base-Backbone interact. energy: -0.194
local terms energy: -98.134355
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -26.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -249.078820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.078820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.078820 (E_RNA)
where:
Base-Base interactions energy: -155.074
where: short stacking energy: -67.728
Base-Backbone interact. energy: -0.638
local terms energy: -93.367390
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -27.705
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -10.215
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: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -287.034711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.034711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.034711 (E_RNA)
where:
Base-Base interactions energy: -184.078
where: short stacking energy: -84.503
Base-Backbone interact. energy: -0.493
local terms energy: -102.463929
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -20.991
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -20.778
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: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -122.880617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.880617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.880617 (E_RNA)
where:
Base-Base interactions energy: -44.274
where: short stacking energy: -29.563
Base-Backbone interact. energy: -0.561
local terms energy: -78.045305
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -105.573503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.573503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.573503 (E_RNA)
where:
Base-Base interactions energy: -29.508
where: short stacking energy: -22.173
Base-Backbone interact. energy: 3.715
local terms energy: -79.780475
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -6.379
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: 130
Temperature: 0.900000
Total energy: -382.728259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.728259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.728259 (E_RNA)
where:
Base-Base interactions energy: -255.290
where: short stacking energy: -111.846
Base-Backbone interact. energy: -0.307
local terms energy: -127.131848
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -31.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -306.795073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.795073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.795073 (E_RNA)
where:
Base-Base interactions energy: -191.278
where: short stacking energy: -95.725
Base-Backbone interact. energy: -0.470
local terms energy: -115.047565
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -26.628
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: 130
Temperature: 1.000000
Total energy: -312.088410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.088410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.088410 (E_RNA)
where:
Base-Base interactions energy: -189.955
where: short stacking energy: -89.015
Base-Backbone interact. energy: -0.826
local terms energy: -121.307294
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -26.987
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -27.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -292.308821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.308821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.308821 (E_RNA)
where:
Base-Base interactions energy: -190.203
where: short stacking energy: -93.805
Base-Backbone interact. energy: -0.129
local terms energy: -101.976852
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -23.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -283.001479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.001479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.001479 (E_RNA)
where:
Base-Base interactions energy: -169.125
where: short stacking energy: -68.504
Base-Backbone interact. energy: 0.196
local terms energy: -114.072177
where:
bonds (distance) C4'-P energy: -27.175
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -21.217
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: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -289.262902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.262902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.262902 (E_RNA)
where:
Base-Base interactions energy: -194.640
where: short stacking energy: -72.559
Base-Backbone interact. energy: -0.148
local terms energy: -94.474751
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -268.149411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.149411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.149411 (E_RNA)
where:
Base-Base interactions energy: -177.204
where: short stacking energy: -69.275
Base-Backbone interact. energy: 0.967
local terms energy: -91.912391
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -231.042464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.042464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.042464 (E_RNA)
where:
Base-Base interactions energy: -136.110
where: short stacking energy: -54.278
Base-Backbone interact. energy: -0.977
local terms energy: -93.955480
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -24.481
flat angles C4'-P-C4' energy: -25.023
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -115.189291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.189291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.189291 (E_RNA)
where:
Base-Base interactions energy: -46.987
where: short stacking energy: -46.987
Base-Backbone interact. energy: -0.182
local terms energy: -68.020194
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: 0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -108.618405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.618405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.618405 (E_RNA)
where:
Base-Base interactions energy: -41.509
where: short stacking energy: -33.070
Base-Backbone interact. energy: 5.820
local terms energy: -72.929308
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: 5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -364.746765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.746765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.746765 (E_RNA)
where:
Base-Base interactions energy: -241.757
where: short stacking energy: -104.213
Base-Backbone interact. energy: -0.798
local terms energy: -122.191613
where:
bonds (distance) C4'-P energy: -24.637
bonds (distance) P-C4' energy: -25.693
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -27.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -320.378486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.378486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.378486 (E_RNA)
where:
Base-Base interactions energy: -202.337
where: short stacking energy: -98.677
Base-Backbone interact. energy: -0.886
local terms energy: -117.154910
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -335.491729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.491729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.491729 (E_RNA)
where:
Base-Base interactions energy: -217.097
where: short stacking energy: -97.188
Base-Backbone interact. energy: -0.318
local terms energy: -118.076678
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -29.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -314.234580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.234580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.234580 (E_RNA)
where:
Base-Base interactions energy: -204.315
where: short stacking energy: -100.011
Base-Backbone interact. energy: 0.049
local terms energy: -109.968347
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -23.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -290.671646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.671646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.671646 (E_RNA)
where:
Base-Base interactions energy: -182.077
where: short stacking energy: -73.949
Base-Backbone interact. energy: 1.887
local terms energy: -110.481686
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -22.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -294.849870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.849870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.849870 (E_RNA)
where:
Base-Base interactions energy: -193.509
where: short stacking energy: -88.447
Base-Backbone interact. energy: -0.608
local terms energy: -100.732536
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -19.061
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: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -277.637954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.637954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.637954 (E_RNA)
where:
Base-Base interactions energy: -187.057
where: short stacking energy: -77.914
Base-Backbone interact. energy: -0.704
local terms energy: -89.877044
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -14.313
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: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -239.913531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.913531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.913531 (E_RNA)
where:
Base-Base interactions energy: -159.905
where: short stacking energy: -62.991
Base-Backbone interact. energy: -0.723
local terms energy: -79.286366
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -25.616
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -116.638444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.638444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.638444 (E_RNA)
where:
Base-Base interactions energy: -51.461
where: short stacking energy: -27.305
Base-Backbone interact. energy: 1.555
local terms energy: -66.732267
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: 9.954
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: 131
Temperature: 1.350000
Total energy: -126.195477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.195477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.195477 (E_RNA)
where:
Base-Base interactions energy: -65.637
where: short stacking energy: -34.933
Base-Backbone interact. energy: -0.077
local terms energy: -60.481097
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: 2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -378.325566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.325566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.325566 (E_RNA)
where:
Base-Base interactions energy: -255.379
where: short stacking energy: -107.262
Base-Backbone interact. energy: -0.447
local terms energy: -122.499827
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -37.053
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: 132
Temperature: 0.950000
Total energy: -338.114559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.114559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.114559 (E_RNA)
where:
Base-Base interactions energy: -211.848
where: short stacking energy: -104.620
Base-Backbone interact. energy: -2.785
local terms energy: -123.481388
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -29.603
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: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -336.407086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.407086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.407086 (E_RNA)
where:
Base-Base interactions energy: -225.331
where: short stacking energy: -96.878
Base-Backbone interact. energy: -0.704
local terms energy: -110.372364
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -30.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -315.614030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.614030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.614030 (E_RNA)
where:
Base-Base interactions energy: -203.439
where: short stacking energy: -100.562
Base-Backbone interact. energy: -0.648
local terms energy: -111.527182
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -27.169
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -30.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -285.741273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.741273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.741273 (E_RNA)
where:
Base-Base interactions energy: -180.037
where: short stacking energy: -76.013
Base-Backbone interact. energy: -0.194
local terms energy: -105.509970
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -24.715
flat angles P-C4'-P energy: -19.980
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: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -281.285504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.285504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.285504 (E_RNA)
where:
Base-Base interactions energy: -167.772
where: short stacking energy: -79.963
Base-Backbone interact. energy: -0.007
local terms energy: -113.506092
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -21.221
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: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -284.574513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.574513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.574513 (E_RNA)
where:
Base-Base interactions energy: -184.004
where: short stacking energy: -79.981
Base-Backbone interact. energy: -0.593
local terms energy: -99.978435
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -26.148
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -14.670
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: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -226.268833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.268833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.268833 (E_RNA)
where:
Base-Base interactions energy: -147.205
where: short stacking energy: -57.657
Base-Backbone interact. energy: -0.195
local terms energy: -78.868567
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -17.272
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: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -113.573812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.573812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.573812 (E_RNA)
where:
Base-Base interactions energy: -41.853
where: short stacking energy: -26.306
Base-Backbone interact. energy: -0.951
local terms energy: -70.769922
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -0.549
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: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -107.425401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.425401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.425401 (E_RNA)
where:
Base-Base interactions energy: -36.249
where: short stacking energy: -34.878
Base-Backbone interact. energy: -0.476
local terms energy: -70.700100
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: 4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -358.852540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.852540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.852540 (E_RNA)
where:
Base-Base interactions energy: -230.025
where: short stacking energy: -106.618
Base-Backbone interact. energy: -0.577
local terms energy: -128.250740
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -29.076
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -29.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -358.337314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.337314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.337314 (E_RNA)
where:
Base-Base interactions energy: -232.522
where: short stacking energy: -119.452
Base-Backbone interact. energy: -0.022
local terms energy: -125.793535
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -36.073
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: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -335.348939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.348939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.348939 (E_RNA)
where:
Base-Base interactions energy: -211.174
where: short stacking energy: -110.532
Base-Backbone interact. energy: -0.208
local terms energy: -123.966606
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -31.667
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: 133
Temperature: 1.050000
Total energy: -301.340698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.340698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.340698 (E_RNA)
where:
Base-Base interactions energy: -186.160
where: short stacking energy: -84.847
Base-Backbone interact. energy: -0.085
local terms energy: -115.095156
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -28.954
flat angles C4'-P-C4' energy: -27.011
flat angles P-C4'-P energy: -19.409
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -287.648926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.648926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.648926 (E_RNA)
where:
Base-Base interactions energy: -197.064
where: short stacking energy: -76.434
Base-Backbone interact. energy: 1.176
local terms energy: -91.761215
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -11.939
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: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -283.706820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.706820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.706820 (E_RNA)
where:
Base-Base interactions energy: -182.979
where: short stacking energy: -86.620
Base-Backbone interact. energy: -0.673
local terms energy: -100.055440
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -19.411
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: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -263.465459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.465459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.465459 (E_RNA)
where:
Base-Base interactions energy: -167.477
where: short stacking energy: -78.654
Base-Backbone interact. energy: 0.603
local terms energy: -96.591353
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -23.667
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -221.394828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.394828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.394828 (E_RNA)
where:
Base-Base interactions energy: -136.574
where: short stacking energy: -48.255
Base-Backbone interact. energy: -0.170
local terms energy: -84.650894
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -9.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -140.690859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.690859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.690859 (E_RNA)
where:
Base-Base interactions energy: -60.999
where: short stacking energy: -34.256
Base-Backbone interact. energy: -0.412
local terms energy: -79.279881
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: 5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -129.633922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.633922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.633922 (E_RNA)
where:
Base-Base interactions energy: -36.337
where: short stacking energy: -36.705
Base-Backbone interact. energy: -0.228
local terms energy: -93.068866
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -6.288
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: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -362.121636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.121636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.121636 (E_RNA)
where:
Base-Base interactions energy: -241.725
where: short stacking energy: -111.595
Base-Backbone interact. energy: -0.351
local terms energy: -120.045402
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -30.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -350.883582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.883582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.883582 (E_RNA)
where:
Base-Base interactions energy: -227.472
where: short stacking energy: -108.757
Base-Backbone interact. energy: -0.969
local terms energy: -122.442641
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -32.079
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: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -339.011573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.011573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.011573 (E_RNA)
where:
Base-Base interactions energy: -213.316
where: short stacking energy: -103.739
Base-Backbone interact. energy: -0.327
local terms energy: -125.368903
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -33.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -302.230615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.230615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.230615 (E_RNA)
where:
Base-Base interactions energy: -194.227
where: short stacking energy: -98.553
Base-Backbone interact. energy: 1.143
local terms energy: -109.146001
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -26.249
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -29.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -299.412441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.412441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.412441 (E_RNA)
where:
Base-Base interactions energy: -186.235
where: short stacking energy: -91.834
Base-Backbone interact. energy: -0.043
local terms energy: -113.134378
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -26.500
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: 134
Temperature: 1.150000
Total energy: -290.162736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.162736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.162736 (E_RNA)
where:
Base-Base interactions energy: -188.398
where: short stacking energy: -90.631
Base-Backbone interact. energy: -0.113
local terms energy: -101.651664
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -25.898
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: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -252.367428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.367428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.367428 (E_RNA)
where:
Base-Base interactions energy: -171.761
where: short stacking energy: -71.804
Base-Backbone interact. energy: -1.054
local terms energy: -79.552897
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -251.546328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.546328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.546328 (E_RNA)
where:
Base-Base interactions energy: -168.617
where: short stacking energy: -76.472
Base-Backbone interact. energy: 0.737
local terms energy: -83.666196
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -125.563141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.563141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.563141 (E_RNA)
where:
Base-Base interactions energy: -44.796
where: short stacking energy: -24.419
Base-Backbone interact. energy: -0.039
local terms energy: -80.727916
where:
bonds (distance) C4'-P energy: -27.345
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: 4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -125.361856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.361856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.361856 (E_RNA)
where:
Base-Base interactions energy: -63.487
where: short stacking energy: -42.408
Base-Backbone interact. energy: -0.255
local terms energy: -61.619779
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -9.748
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: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -363.165682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.165682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.165682 (E_RNA)
where:
Base-Base interactions energy: -235.249
where: short stacking energy: -108.852
Base-Backbone interact. energy: 1.407
local terms energy: -129.324379
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -26.084
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -31.749
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: 135
Temperature: 0.950000
Total energy: -358.000540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.000540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.000540 (E_RNA)
where:
Base-Base interactions energy: -234.946
where: short stacking energy: -114.818
Base-Backbone interact. energy: -1.173
local terms energy: -121.882319
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -27.948
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -31.030
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: 135
Temperature: 1.000000
Total energy: -313.419180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.419180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.419180 (E_RNA)
where:
Base-Base interactions energy: -190.816
where: short stacking energy: -93.278
Base-Backbone interact. energy: -0.890
local terms energy: -121.712751
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -27.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -302.838660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.838660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.838660 (E_RNA)
where:
Base-Base interactions energy: -198.781
where: short stacking energy: -97.557
Base-Backbone interact. energy: -0.357
local terms energy: -103.700858
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -23.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -289.564716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.564716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.564716 (E_RNA)
where:
Base-Base interactions energy: -187.729
where: short stacking energy: -88.043
Base-Backbone interact. energy: -0.057
local terms energy: -101.778228
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -283.528771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.528771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.528771 (E_RNA)
where:
Base-Base interactions energy: -181.273
where: short stacking energy: -82.289
Base-Backbone interact. energy: -0.470
local terms energy: -101.786567
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -17.602
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: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -266.386235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.386235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.386235 (E_RNA)
where:
Base-Base interactions energy: -173.473
where: short stacking energy: -77.011
Base-Backbone interact. energy: -0.013
local terms energy: -92.900381
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -261.588387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.588387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.588387 (E_RNA)
where:
Base-Base interactions energy: -166.094
where: short stacking energy: -74.688
Base-Backbone interact. energy: -0.260
local terms energy: -95.234815
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -0.702
tors. eta vs tors. theta energy: -21.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -117.138978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.138978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.138978 (E_RNA)
where:
Base-Base interactions energy: -44.444
where: short stacking energy: -40.653
Base-Backbone interact. energy: -0.501
local terms energy: -72.194094
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -10.896
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: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -109.919009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.919009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.919009 (E_RNA)
where:
Base-Base interactions energy: -46.360
where: short stacking energy: -34.135
Base-Backbone interact. energy: 0.577
local terms energy: -64.135289
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -355.188438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.188438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.188438 (E_RNA)
where:
Base-Base interactions energy: -233.228
where: short stacking energy: -99.168
Base-Backbone interact. energy: -0.852
local terms energy: -121.109174
where:
bonds (distance) C4'-P energy: -27.870
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -24.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -355.128316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.128316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.128316 (E_RNA)
where:
Base-Base interactions energy: -230.727
where: short stacking energy: -99.666
Base-Backbone interact. energy: 0.238
local terms energy: -124.638868
where:
bonds (distance) C4'-P energy: -28.657
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -30.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -302.330806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.330806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.330806 (E_RNA)
where:
Base-Base interactions energy: -179.148
where: short stacking energy: -89.782
Base-Backbone interact. energy: -0.191
local terms energy: -122.991912
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -27.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -293.204233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.204233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.204233 (E_RNA)
where:
Base-Base interactions energy: -187.479
where: short stacking energy: -84.354
Base-Backbone interact. energy: -0.554
local terms energy: -105.171166
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -24.681
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -287.275143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.275143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.275143 (E_RNA)
where:
Base-Base interactions energy: -183.980
where: short stacking energy: -86.676
Base-Backbone interact. energy: -0.154
local terms energy: -103.140901
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -23.171
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: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -279.430661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.430661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.430661 (E_RNA)
where:
Base-Base interactions energy: -181.146
where: short stacking energy: -89.644
Base-Backbone interact. energy: -0.124
local terms energy: -98.160606
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -22.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -285.292958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.292958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.292958 (E_RNA)
where:
Base-Base interactions energy: -190.634
where: short stacking energy: -85.582
Base-Backbone interact. energy: -0.282
local terms energy: -94.377411
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -260.205647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.205647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.205647 (E_RNA)
where:
Base-Base interactions energy: -174.833
where: short stacking energy: -74.543
Base-Backbone interact. energy: -0.814
local terms energy: -84.558389
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -125.582114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.582114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.582114 (E_RNA)
where:
Base-Base interactions energy: -50.520
where: short stacking energy: -41.762
Base-Backbone interact. energy: 0.397
local terms energy: -75.459080
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -24.518
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -134.298132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.298132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.298132 (E_RNA)
where:
Base-Base interactions energy: -60.649
where: short stacking energy: -38.199
Base-Backbone interact. energy: 0.221
local terms energy: -73.870648
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: 4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -357.773164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.773164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.773164 (E_RNA)
where:
Base-Base interactions energy: -234.734
where: short stacking energy: -91.289
Base-Backbone interact. energy: -1.459
local terms energy: -121.579805
where:
bonds (distance) C4'-P energy: -25.038
bonds (distance) P-C4' energy: -26.881
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -29.927
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: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -359.070767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.070767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.070767 (E_RNA)
where:
Base-Base interactions energy: -233.466
where: short stacking energy: -113.779
Base-Backbone interact. energy: -0.178
local terms energy: -125.427243
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -39.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -305.388696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.388696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.388696 (E_RNA)
where:
Base-Base interactions energy: -204.337
where: short stacking energy: -87.850
Base-Backbone interact. energy: -0.647
local terms energy: -100.404674
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -284.570123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.570123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.570123 (E_RNA)
where:
Base-Base interactions energy: -175.614
where: short stacking energy: -82.140
Base-Backbone interact. energy: -0.168
local terms energy: -108.787879
where:
bonds (distance) C4'-P energy: -23.954
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -20.992
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: 137
Temperature: 1.100000
Total energy: -295.544374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.544374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.544374 (E_RNA)
where:
Base-Base interactions energy: -198.552
where: short stacking energy: -86.106
Base-Backbone interact. energy: -0.080
local terms energy: -96.913133
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -10.440
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: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -279.430658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.430658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.430658 (E_RNA)
where:
Base-Base interactions energy: -167.609
where: short stacking energy: -84.525
Base-Backbone interact. energy: -0.255
local terms energy: -111.566739
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -20.235
tors. eta vs tors. theta energy: -23.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -264.780022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.780022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.780022 (E_RNA)
where:
Base-Base interactions energy: -183.397
where: short stacking energy: -69.339
Base-Backbone interact. energy: -0.745
local terms energy: -80.638261
where:
bonds (distance) C4'-P energy: -7.195
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -257.546243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.546243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.546243 (E_RNA)
where:
Base-Base interactions energy: -167.001
where: short stacking energy: -72.115
Base-Backbone interact. energy: -0.716
local terms energy: -89.829535
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -12.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -110.886042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.886042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.886042 (E_RNA)
where:
Base-Base interactions energy: -40.290
where: short stacking energy: -28.223
Base-Backbone interact. energy: -0.274
local terms energy: -70.322437
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -6.467
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: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -133.223765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.223765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.223765 (E_RNA)
where:
Base-Base interactions energy: -57.542
where: short stacking energy: -28.230
Base-Backbone interact. energy: -0.241
local terms energy: -75.441107
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -0.090
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: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -360.192993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.192993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.192993 (E_RNA)
where:
Base-Base interactions energy: -233.660
where: short stacking energy: -98.536
Base-Backbone interact. energy: -0.251
local terms energy: -126.282411
where:
bonds (distance) C4'-P energy: -25.262
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -27.907
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -27.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -384.721811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.721811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.721811 (E_RNA)
where:
Base-Base interactions energy: -256.076
where: short stacking energy: -110.540
Base-Backbone interact. energy: -0.322
local terms energy: -128.324295
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -28.721
flat angles C4'-P-C4' energy: -29.880
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -32.537
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: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -319.378743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.378743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.378743 (E_RNA)
where:
Base-Base interactions energy: -196.910
where: short stacking energy: -85.535
Base-Backbone interact. energy: -0.854
local terms energy: -121.615462
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -20.732
tors. eta vs tors. theta energy: -24.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -282.338749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.338749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.338749 (E_RNA)
where:
Base-Base interactions energy: -179.237
where: short stacking energy: -89.852
Base-Backbone interact. energy: -0.016
local terms energy: -103.085939
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -23.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -286.724362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.724362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.724362 (E_RNA)
where:
Base-Base interactions energy: -187.674
where: short stacking energy: -85.743
Base-Backbone interact. energy: -0.626
local terms energy: -98.425048
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -12.107
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: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -281.904848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.904848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.904848 (E_RNA)
where:
Base-Base interactions energy: -188.204
where: short stacking energy: -79.181
Base-Backbone interact. energy: -0.174
local terms energy: -93.526940
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -241.494025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.494025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.494025 (E_RNA)
where:
Base-Base interactions energy: -147.306
where: short stacking energy: -69.637
Base-Backbone interact. energy: -0.052
local terms energy: -94.136004
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -11.024
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: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -254.218231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.218231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.218231 (E_RNA)
where:
Base-Base interactions energy: -172.252
where: short stacking energy: -62.948
Base-Backbone interact. energy: -0.535
local terms energy: -81.431238
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -9.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -177.010965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.010965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.010965 (E_RNA)
where:
Base-Base interactions energy: -99.157
where: short stacking energy: -44.180
Base-Backbone interact. energy: -0.436
local terms energy: -77.418431
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -19.957
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: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -127.154284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.154284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.154284 (E_RNA)
where:
Base-Base interactions energy: -57.799
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.532
local terms energy: -68.822838
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -358.580587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.580587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.580587 (E_RNA)
where:
Base-Base interactions energy: -228.968
where: short stacking energy: -111.030
Base-Backbone interact. energy: -0.348
local terms energy: -129.264207
where:
bonds (distance) C4'-P energy: -28.730
bonds (distance) P-C4' energy: -22.079
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -34.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -364.974052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.974052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.974052 (E_RNA)
where:
Base-Base interactions energy: -244.245
where: short stacking energy: -108.448
Base-Backbone interact. energy: -0.959
local terms energy: -119.770065
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -34.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -327.693075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.693075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.693075 (E_RNA)
where:
Base-Base interactions energy: -203.445
where: short stacking energy: -104.461
Base-Backbone interact. energy: -0.846
local terms energy: -123.402151
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -22.879
tors. eta vs tors. theta energy: -29.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -303.989035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.989035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.989035 (E_RNA)
where:
Base-Base interactions energy: -194.896
where: short stacking energy: -79.743
Base-Backbone interact. energy: -0.434
local terms energy: -108.658520
where:
bonds (distance) C4'-P energy: -26.286
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -259.527849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.527849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.527849 (E_RNA)
where:
Base-Base interactions energy: -161.758
where: short stacking energy: -85.080
Base-Backbone interact. energy: -0.158
local terms energy: -97.611530
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -22.762
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: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -271.934276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.934276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.934276 (E_RNA)
where:
Base-Base interactions energy: -181.566
where: short stacking energy: -72.318
Base-Backbone interact. energy: -0.289
local terms energy: -90.078969
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -15.638
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: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -257.771750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.771750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.771750 (E_RNA)
where:
Base-Base interactions energy: -169.658
where: short stacking energy: -71.513
Base-Backbone interact. energy: -0.294
local terms energy: -87.819671
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -199.964771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.964771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.964771 (E_RNA)
where:
Base-Base interactions energy: -116.805
where: short stacking energy: -65.803
Base-Backbone interact. energy: -0.053
local terms energy: -83.106561
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -12.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -187.023508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.023508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.023508 (E_RNA)
where:
Base-Base interactions energy: -126.882
where: short stacking energy: -43.113
Base-Backbone interact. energy: -0.063
local terms energy: -60.079377
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -112.326676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.326676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.326676 (E_RNA)
where:
Base-Base interactions energy: -43.701
where: short stacking energy: -25.981
Base-Backbone interact. energy: -0.097
local terms energy: -68.528465
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: 7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -361.275569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.275569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.275569 (E_RNA)
where:
Base-Base interactions energy: -238.294
where: short stacking energy: -101.313
Base-Backbone interact. energy: 1.070
local terms energy: -124.051319
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -26.969
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -33.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -374.631257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.631257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.631257 (E_RNA)
where:
Base-Base interactions energy: -248.600
where: short stacking energy: -107.727
Base-Backbone interact. energy: -0.508
local terms energy: -125.522908
where:
bonds (distance) C4'-P energy: -23.159
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -34.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -316.242315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.242315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.242315 (E_RNA)
where:
Base-Base interactions energy: -201.338
where: short stacking energy: -104.022
Base-Backbone interact. energy: -0.086
local terms energy: -114.818150
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -32.484
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: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -303.678605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.678605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.678605 (E_RNA)
where:
Base-Base interactions energy: -197.655
where: short stacking energy: -85.854
Base-Backbone interact. energy: 0.063
local terms energy: -106.086868
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -25.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -286.680289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.680289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.680289 (E_RNA)
where:
Base-Base interactions energy: -175.090
where: short stacking energy: -89.024
Base-Backbone interact. energy: -0.683
local terms energy: -110.907838
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -265.322414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.322414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.322414 (E_RNA)
where:
Base-Base interactions energy: -173.925
where: short stacking energy: -75.514
Base-Backbone interact. energy: -1.062
local terms energy: -90.334763
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -273.859578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.859578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.859578 (E_RNA)
where:
Base-Base interactions energy: -182.625
where: short stacking energy: -78.413
Base-Backbone interact. energy: -0.560
local terms energy: -90.674781
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -216.467308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.467308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.467308 (E_RNA)
where:
Base-Base interactions energy: -135.278
where: short stacking energy: -57.964
Base-Backbone interact. energy: 0.307
local terms energy: -81.496695
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -183.205916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.205916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.205916 (E_RNA)
where:
Base-Base interactions energy: -105.782
where: short stacking energy: -59.377
Base-Backbone interact. energy: -0.940
local terms energy: -76.484527
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -125.519460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.519460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.519460 (E_RNA)
where:
Base-Base interactions energy: -43.312
where: short stacking energy: -38.976
Base-Backbone interact. energy: -0.937
local terms energy: -81.270768
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -15.572
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: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -369.739047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.739047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.739047 (E_RNA)
where:
Base-Base interactions energy: -250.529
where: short stacking energy: -113.426
Base-Backbone interact. energy: 1.591
local terms energy: -120.801209
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -30.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -361.509254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.509254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.509254 (E_RNA)
where:
Base-Base interactions energy: -239.808
where: short stacking energy: -112.820
Base-Backbone interact. energy: -0.717
local terms energy: -120.983845
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -27.045
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: -29.064
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: 141
Temperature: 1.000000
Total energy: -291.767739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.767739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.767739 (E_RNA)
where:
Base-Base interactions energy: -188.693
where: short stacking energy: -83.135
Base-Backbone interact. energy: -0.129
local terms energy: -102.945585
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -26.489
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -20.746
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: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -279.876731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.876731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.876731 (E_RNA)
where:
Base-Base interactions energy: -178.045
where: short stacking energy: -83.183
Base-Backbone interact. energy: 0.653
local terms energy: -102.484969
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -290.816215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.816215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.816215 (E_RNA)
where:
Base-Base interactions energy: -196.190
where: short stacking energy: -80.756
Base-Backbone interact. energy: -0.219
local terms energy: -94.406885
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -285.189297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.189297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.189297 (E_RNA)
where:
Base-Base interactions energy: -182.434
where: short stacking energy: -75.521
Base-Backbone interact. energy: -0.301
local terms energy: -102.455041
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -28.031
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -272.929663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.929663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.929663 (E_RNA)
where:
Base-Base interactions energy: -178.568
where: short stacking energy: -78.197
Base-Backbone interact. energy: -0.219
local terms energy: -94.142061
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -24.915
flat angles P-C4'-P energy: -18.975
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: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -189.871079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.871079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.871079 (E_RNA)
where:
Base-Base interactions energy: -106.357
where: short stacking energy: -38.448
Base-Backbone interact. energy: 0.016
local terms energy: -83.530825
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -17.802
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: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -178.829183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.829183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.829183 (E_RNA)
where:
Base-Base interactions energy: -106.492
where: short stacking energy: -50.470
Base-Backbone interact. energy: -0.582
local terms energy: -71.755235
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -4.465
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: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -115.784907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.784907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.784907 (E_RNA)
where:
Base-Base interactions energy: -46.182
where: short stacking energy: -32.551
Base-Backbone interact. energy: -1.309
local terms energy: -68.294148
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -20.826
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: 5.875
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: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -386.224003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.224003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.224003 (E_RNA)
where:
Base-Base interactions energy: -255.544
where: short stacking energy: -111.754
Base-Backbone interact. energy: -0.250
local terms energy: -130.429994
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -25.961
flat angles P-C4'-P energy: -19.967
tors. eta vs tors. theta energy: -32.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -362.498715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.498715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.498715 (E_RNA)
where:
Base-Base interactions energy: -229.292
where: short stacking energy: -108.236
Base-Backbone interact. energy: 1.034
local terms energy: -134.241131
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -37.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -289.506988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.506988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.506988 (E_RNA)
where:
Base-Base interactions energy: -182.048
where: short stacking energy: -80.338
Base-Backbone interact. energy: 0.339
local terms energy: -107.797741
where:
bonds (distance) C4'-P energy: -25.853
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -19.382
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: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -306.084153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.084153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.084153 (E_RNA)
where:
Base-Base interactions energy: -193.558
where: short stacking energy: -93.596
Base-Backbone interact. energy: -0.201
local terms energy: -112.325473
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -25.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -296.411043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.411043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.411043 (E_RNA)
where:
Base-Base interactions energy: -182.295
where: short stacking energy: -80.623
Base-Backbone interact. energy: -0.621
local terms energy: -113.494555
where:
bonds (distance) C4'-P energy: -24.985
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -258.329894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.329894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.329894 (E_RNA)
where:
Base-Base interactions energy: -168.874
where: short stacking energy: -65.323
Base-Backbone interact. energy: -0.803
local terms energy: -88.652409
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -9.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -271.919838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.919838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.919838 (E_RNA)
where:
Base-Base interactions energy: -176.995
where: short stacking energy: -58.935
Base-Backbone interact. energy: 3.008
local terms energy: -97.932442
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -27.177
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -204.424196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.424196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.424196 (E_RNA)
where:
Base-Base interactions energy: -120.563
where: short stacking energy: -62.750
Base-Backbone interact. energy: 0.521
local terms energy: -84.382362
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -202.576882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576882 (E_RNA)
where:
Base-Base interactions energy: -118.773
where: short stacking energy: -47.450
Base-Backbone interact. energy: -0.329
local terms energy: -83.474669
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -10.370
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: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -112.374970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.374970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.374970 (E_RNA)
where:
Base-Base interactions energy: -39.078
where: short stacking energy: -38.749
Base-Backbone interact. energy: -0.228
local terms energy: -73.068766
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -4.787
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: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -379.171462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.171462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.171462 (E_RNA)
where:
Base-Base interactions energy: -255.001
where: short stacking energy: -113.122
Base-Backbone interact. energy: -1.259
local terms energy: -122.912289
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -27.120
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -33.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -361.656287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.656287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.656287 (E_RNA)
where:
Base-Base interactions energy: -240.292
where: short stacking energy: -107.335
Base-Backbone interact. energy: 0.257
local terms energy: -121.621514
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -28.140
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: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -334.678515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.678515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.678515 (E_RNA)
where:
Base-Base interactions energy: -225.992
where: short stacking energy: -106.963
Base-Backbone interact. energy: -1.209
local terms energy: -107.477511
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -299.476131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.476131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.476131 (E_RNA)
where:
Base-Base interactions energy: -178.249
where: short stacking energy: -91.404
Base-Backbone interact. energy: 0.464
local terms energy: -121.690412
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -33.521
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: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -292.897603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.897603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.897603 (E_RNA)
where:
Base-Base interactions energy: -193.870
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.214
local terms energy: -98.814457
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -22.970
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: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -277.586260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.586260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.586260 (E_RNA)
where:
Base-Base interactions energy: -179.288
where: short stacking energy: -80.375
Base-Backbone interact. energy: -1.230
local terms energy: -97.068071
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -27.287
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -15.652
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: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -270.562867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.562867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.562867 (E_RNA)
where:
Base-Base interactions energy: -178.439
where: short stacking energy: -72.742
Base-Backbone interact. energy: 1.109
local terms energy: -93.233094
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -14.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -236.328742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.328742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.328742 (E_RNA)
where:
Base-Base interactions energy: -151.489
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.545
local terms energy: -84.294732
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -11.606
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: 143
Temperature: 1.300000
Total energy: -189.849941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.849941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.849941 (E_RNA)
where:
Base-Base interactions energy: -104.253
where: short stacking energy: -55.111
Base-Backbone interact. energy: -1.591
local terms energy: -84.006097
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -13.396
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: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -135.423613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.423613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.423613 (E_RNA)
where:
Base-Base interactions energy: -62.893
where: short stacking energy: -43.574
Base-Backbone interact. energy: 1.916
local terms energy: -74.447264
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -399.708590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.708590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.708590 (E_RNA)
where:
Base-Base interactions energy: -267.120
where: short stacking energy: -115.532
Base-Backbone interact. energy: -0.664
local terms energy: -131.925098
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -22.421
tors. eta vs tors. theta energy: -33.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -373.155021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.155021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.155021 (E_RNA)
where:
Base-Base interactions energy: -251.046
where: short stacking energy: -103.811
Base-Backbone interact. energy: -0.620
local terms energy: -121.489412
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -25.559
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -33.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -332.969980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.969980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.969980 (E_RNA)
where:
Base-Base interactions energy: -221.828
where: short stacking energy: -104.976
Base-Backbone interact. energy: -0.146
local terms energy: -110.996043
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -291.899374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.899374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.899374 (E_RNA)
where:
Base-Base interactions energy: -183.535
where: short stacking energy: -82.109
Base-Backbone interact. energy: 1.536
local terms energy: -109.900457
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -297.250469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.250469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.250469 (E_RNA)
where:
Base-Base interactions energy: -190.968
where: short stacking energy: -92.078
Base-Backbone interact. energy: -0.224
local terms energy: -106.059079
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -22.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -262.157926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.157926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.157926 (E_RNA)
where:
Base-Base interactions energy: -159.415
where: short stacking energy: -58.345
Base-Backbone interact. energy: -1.000
local terms energy: -101.742998
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -28.356
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -267.179603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.179603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.179603 (E_RNA)
where:
Base-Base interactions energy: -161.410
where: short stacking energy: -73.279
Base-Backbone interact. energy: -0.163
local terms energy: -105.606357
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -24.809
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -252.788100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.788100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.788100 (E_RNA)
where:
Base-Base interactions energy: -156.147
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.187
local terms energy: -96.453561
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -26.032
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -188.684815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.684815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.684815 (E_RNA)
where:
Base-Base interactions energy: -102.084
where: short stacking energy: -51.461
Base-Backbone interact. energy: 1.134
local terms energy: -87.734602
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -117.197849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.197849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.197849 (E_RNA)
where:
Base-Base interactions energy: -32.140
where: short stacking energy: -32.101
Base-Backbone interact. energy: 0.217
local terms energy: -85.274321
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -25.370
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -383.173389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.173389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.173389 (E_RNA)
where:
Base-Base interactions energy: -250.024
where: short stacking energy: -113.765
Base-Backbone interact. energy: -0.506
local terms energy: -132.643767
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -32.701
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -328.033901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.033901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.033901 (E_RNA)
where:
Base-Base interactions energy: -210.028
where: short stacking energy: -103.575
Base-Backbone interact. energy: -0.023
local terms energy: -117.983225
where:
bonds (distance) C4'-P energy: -22.682
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -16.876
tors. eta vs tors. theta energy: -27.950
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: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -360.185945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.185945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.185945 (E_RNA)
where:
Base-Base interactions energy: -230.853
where: short stacking energy: -110.626
Base-Backbone interact. energy: 0.923
local terms energy: -130.255540
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -35.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -310.194531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.194531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.194531 (E_RNA)
where:
Base-Base interactions energy: -190.817
where: short stacking energy: -93.375
Base-Backbone interact. energy: -0.018
local terms energy: -119.360101
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -24.073
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -29.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -279.223353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.223353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.223353 (E_RNA)
where:
Base-Base interactions energy: -175.654
where: short stacking energy: -86.052
Base-Backbone interact. energy: -0.282
local terms energy: -103.287595
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -266.817416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.817416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.817416 (E_RNA)
where:
Base-Base interactions energy: -188.162
where: short stacking energy: -60.284
Base-Backbone interact. energy: -0.504
local terms energy: -78.151233
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -257.560882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.560882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.560882 (E_RNA)
where:
Base-Base interactions energy: -164.623
where: short stacking energy: -70.251
Base-Backbone interact. energy: -0.574
local terms energy: -92.364093
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -30.613
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -250.644906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.644906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.644906 (E_RNA)
where:
Base-Base interactions energy: -161.826
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.854
local terms energy: -87.965577
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -236.840755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.840755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.840755 (E_RNA)
where:
Base-Base interactions energy: -144.898
where: short stacking energy: -73.596
Base-Backbone interact. energy: -1.251
local terms energy: -90.691771
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -113.042841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.042841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.042841 (E_RNA)
where:
Base-Base interactions energy: -39.580
where: short stacking energy: -32.912
Base-Backbone interact. energy: -0.331
local terms energy: -73.131773
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: 2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -379.362132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.362132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.362132 (E_RNA)
where:
Base-Base interactions energy: -255.735
where: short stacking energy: -102.043
Base-Backbone interact. energy: -0.594
local terms energy: -123.032710
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -29.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -319.774364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.774364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.774364 (E_RNA)
where:
Base-Base interactions energy: -208.895
where: short stacking energy: -87.103
Base-Backbone interact. energy: -0.338
local terms energy: -110.541212
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -25.326
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -354.046693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.046693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.046693 (E_RNA)
where:
Base-Base interactions energy: -228.651
where: short stacking energy: -94.474
Base-Backbone interact. energy: -0.004
local terms energy: -125.390897
where:
bonds (distance) C4'-P energy: -24.830
bonds (distance) P-C4' energy: -24.960
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -32.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -307.328817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.328817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.328817 (E_RNA)
where:
Base-Base interactions energy: -200.837
where: short stacking energy: -98.808
Base-Backbone interact. energy: 0.687
local terms energy: -107.178601
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -29.675
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: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -283.376823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.376823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.376823 (E_RNA)
where:
Base-Base interactions energy: -188.237
where: short stacking energy: -80.503
Base-Backbone interact. energy: -0.411
local terms energy: -94.728619
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -258.906647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.906647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.906647 (E_RNA)
where:
Base-Base interactions energy: -166.483
where: short stacking energy: -77.062
Base-Backbone interact. energy: 3.027
local terms energy: -95.450671
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -244.686393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.686393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.686393 (E_RNA)
where:
Base-Base interactions energy: -156.393
where: short stacking energy: -69.162
Base-Backbone interact. energy: 0.488
local terms energy: -88.781824
where:
bonds (distance) C4'-P energy: -8.437
bonds (distance) P-C4' energy: -26.780
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -13.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -247.289543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.289543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.289543 (E_RNA)
where:
Base-Base interactions energy: -157.356
where: short stacking energy: -71.682
Base-Backbone interact. energy: -0.363
local terms energy: -89.570844
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -12.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -256.353293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.353293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.353293 (E_RNA)
where:
Base-Base interactions energy: -151.800
where: short stacking energy: -67.013
Base-Backbone interact. energy: -0.210
local terms energy: -104.344138
where:
bonds (distance) C4'-P energy: -24.073
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -19.999
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: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -109.733854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.733854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.733854 (E_RNA)
where:
Base-Base interactions energy: -47.159
where: short stacking energy: -33.161
Base-Backbone interact. energy: -0.209
local terms energy: -62.365960
where:
bonds (distance) C4'-P energy: -25.525
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -4.868
tors. eta vs tors. theta energy: 0.266
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: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -378.174853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.174853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.174853 (E_RNA)
where:
Base-Base interactions energy: -249.724
where: short stacking energy: -115.772
Base-Backbone interact. energy: -1.086
local terms energy: -127.365413
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -33.829
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: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -347.085158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.085158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.085158 (E_RNA)
where:
Base-Base interactions energy: -227.449
where: short stacking energy: -102.630
Base-Backbone interact. energy: -0.014
local terms energy: -119.622159
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -30.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -320.686736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.686736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.686736 (E_RNA)
where:
Base-Base interactions energy: -205.739
where: short stacking energy: -89.365
Base-Backbone interact. energy: -0.353
local terms energy: -114.594777
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -24.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -295.336545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.336545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.336545 (E_RNA)
where:
Base-Base interactions energy: -195.090
where: short stacking energy: -78.927
Base-Backbone interact. energy: -0.240
local terms energy: -100.006460
where:
bonds (distance) C4'-P energy: -24.536
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -24.129
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -16.053
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: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -287.447742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.447742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.447742 (E_RNA)
where:
Base-Base interactions energy: -180.563
where: short stacking energy: -87.998
Base-Backbone interact. energy: -0.101
local terms energy: -106.783885
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -25.350
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: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -281.299351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.299351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.299351 (E_RNA)
where:
Base-Base interactions energy: -193.200
where: short stacking energy: -85.504
Base-Backbone interact. energy: -0.547
local terms energy: -87.552547
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -267.145002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.145002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.145002 (E_RNA)
where:
Base-Base interactions energy: -165.868
where: short stacking energy: -66.043
Base-Backbone interact. energy: -1.103
local terms energy: -100.173889
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -10.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -246.631600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.631600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.631600 (E_RNA)
where:
Base-Base interactions energy: -151.482
where: short stacking energy: -65.576
Base-Backbone interact. energy: -0.204
local terms energy: -94.945337
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -20.377
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: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -239.135025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.135025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.135025 (E_RNA)
where:
Base-Base interactions energy: -144.048
where: short stacking energy: -62.157
Base-Backbone interact. energy: -0.186
local terms energy: -94.901053
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -25.493
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -11.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -112.548422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.548422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.548422 (E_RNA)
where:
Base-Base interactions energy: -41.325
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.490
local terms energy: -70.733060
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -382.644979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.644979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.644979 (E_RNA)
where:
Base-Base interactions energy: -259.383
where: short stacking energy: -112.403
Base-Backbone interact. energy: -1.168
local terms energy: -122.094134
where:
bonds (distance) C4'-P energy: -23.665
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -30.036
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -29.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -360.416725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.416725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.416725 (E_RNA)
where:
Base-Base interactions energy: -238.542
where: short stacking energy: -106.571
Base-Backbone interact. energy: 0.324
local terms energy: -122.197984
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -26.123
flat angles C4'-P-C4' energy: -27.306
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -31.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -322.205312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.205312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.205312 (E_RNA)
where:
Base-Base interactions energy: -204.994
where: short stacking energy: -98.321
Base-Backbone interact. energy: -0.977
local terms energy: -116.233892
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -25.270
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -25.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -284.641351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.641351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.641351 (E_RNA)
where:
Base-Base interactions energy: -186.689
where: short stacking energy: -77.302
Base-Backbone interact. energy: -1.466
local terms energy: -96.485574
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -298.906179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.906179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.906179 (E_RNA)
where:
Base-Base interactions energy: -199.729
where: short stacking energy: -91.662
Base-Backbone interact. energy: -0.207
local terms energy: -98.970484
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -251.717659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.717659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.717659 (E_RNA)
where:
Base-Base interactions energy: -154.001
where: short stacking energy: -67.870
Base-Backbone interact. energy: -0.599
local terms energy: -97.117274
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -23.016
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -19.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -259.708499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.708499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.708499 (E_RNA)
where:
Base-Base interactions energy: -163.082
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.182
local terms energy: -96.443882
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -242.493236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.493236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.493236 (E_RNA)
where:
Base-Base interactions energy: -156.827
where: short stacking energy: -65.998
Base-Backbone interact. energy: -0.325
local terms energy: -85.341174
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -9.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -222.220459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.220459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.220459 (E_RNA)
where:
Base-Base interactions energy: -128.514
where: short stacking energy: -59.127
Base-Backbone interact. energy: -0.744
local terms energy: -92.962687
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -24.282
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -15.658
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: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -106.269767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.269767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.269767 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -23.320
Base-Backbone interact. energy: -0.665
local terms energy: -74.099799
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: 0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -374.923414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.923414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.923414 (E_RNA)
where:
Base-Base interactions energy: -250.713
where: short stacking energy: -105.082
Base-Backbone interact. energy: -0.147
local terms energy: -124.063466
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -27.380
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -36.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -365.502370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.502370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.502370 (E_RNA)
where:
Base-Base interactions energy: -238.047
where: short stacking energy: -100.543
Base-Backbone interact. energy: -0.051
local terms energy: -127.404066
where:
bonds (distance) C4'-P energy: -25.771
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -31.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -313.182284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.182284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.182284 (E_RNA)
where:
Base-Base interactions energy: -205.491
where: short stacking energy: -91.601
Base-Backbone interact. energy: -0.020
local terms energy: -107.670862
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -26.708
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -25.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -294.975608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.975608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.975608 (E_RNA)
where:
Base-Base interactions energy: -198.316
where: short stacking energy: -100.265
Base-Backbone interact. energy: -0.151
local terms energy: -96.508003
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -24.572
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: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -274.223700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.223700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.223700 (E_RNA)
where:
Base-Base interactions energy: -171.720
where: short stacking energy: -80.258
Base-Backbone interact. energy: -0.117
local terms energy: -102.387102
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -259.230671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.230671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.230671 (E_RNA)
where:
Base-Base interactions energy: -162.558
where: short stacking energy: -74.993
Base-Backbone interact. energy: -0.342
local terms energy: -96.330779
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -13.216
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: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -262.370253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.370253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.370253 (E_RNA)
where:
Base-Base interactions energy: -161.155
where: short stacking energy: -73.004
Base-Backbone interact. energy: -0.641
local terms energy: -100.573605
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -243.951575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.951575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.951575 (E_RNA)
where:
Base-Base interactions energy: -157.201
where: short stacking energy: -75.916
Base-Backbone interact. energy: -0.160
local terms energy: -86.591194
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -225.165497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.165497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.165497 (E_RNA)
where:
Base-Base interactions energy: -135.906
where: short stacking energy: -56.086
Base-Backbone interact. energy: -0.424
local terms energy: -88.834701
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -16.058
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: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -115.064732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.064732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.064732 (E_RNA)
where:
Base-Base interactions energy: -42.110
where: short stacking energy: -42.196
Base-Backbone interact. energy: -0.145
local terms energy: -72.808941
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -4.660
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: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -361.838917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.838917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.838917 (E_RNA)
where:
Base-Base interactions energy: -232.058
where: short stacking energy: -109.014
Base-Backbone interact. energy: -0.227
local terms energy: -129.553276
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -27.959
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -33.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -364.531317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.531317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.531317 (E_RNA)
where:
Base-Base interactions energy: -242.346
where: short stacking energy: -96.130
Base-Backbone interact. energy: -0.537
local terms energy: -121.647852
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -26.300
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -30.608
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: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -321.364024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.364024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.364024 (E_RNA)
where:
Base-Base interactions energy: -199.587
where: short stacking energy: -99.755
Base-Backbone interact. energy: -0.921
local terms energy: -120.856668
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -295.876671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.876671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.876671 (E_RNA)
where:
Base-Base interactions energy: -188.041
where: short stacking energy: -97.105
Base-Backbone interact. energy: -0.157
local terms energy: -107.678391
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -25.561
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: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -280.889765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.889765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.889765 (E_RNA)
where:
Base-Base interactions energy: -177.715
where: short stacking energy: -75.988
Base-Backbone interact. energy: -1.044
local terms energy: -102.130296
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -18.125
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: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -262.260342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.260342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.260342 (E_RNA)
where:
Base-Base interactions energy: -161.358
where: short stacking energy: -80.159
Base-Backbone interact. energy: -0.336
local terms energy: -100.566779
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -275.996177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.996177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.996177 (E_RNA)
where:
Base-Base interactions energy: -177.801
where: short stacking energy: -73.610
Base-Backbone interact. energy: -0.212
local terms energy: -97.983051
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -259.978118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.978118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.978118 (E_RNA)
where:
Base-Base interactions energy: -167.022
where: short stacking energy: -77.473
Base-Backbone interact. energy: -0.450
local terms energy: -92.506384
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -216.516276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.516276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.516276 (E_RNA)
where:
Base-Base interactions energy: -129.272
where: short stacking energy: -65.185
Base-Backbone interact. energy: -0.643
local terms energy: -86.601521
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -114.661605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.661605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.661605 (E_RNA)
where:
Base-Base interactions energy: -43.312
where: short stacking energy: -34.591
Base-Backbone interact. energy: 0.650
local terms energy: -71.998893
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: 2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -365.018878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.018878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.018878 (E_RNA)
where:
Base-Base interactions energy: -234.022
where: short stacking energy: -101.320
Base-Backbone interact. energy: -0.112
local terms energy: -130.884639
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -26.843
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -35.311
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: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -358.429041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.429041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.429041 (E_RNA)
where:
Base-Base interactions energy: -231.747
where: short stacking energy: -105.386
Base-Backbone interact. energy: -1.341
local terms energy: -125.341103
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -28.451
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -32.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -321.892845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.892845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.892845 (E_RNA)
where:
Base-Base interactions energy: -206.560
where: short stacking energy: -103.154
Base-Backbone interact. energy: -0.101
local terms energy: -115.231754
where:
bonds (distance) C4'-P energy: -27.153
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -29.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -296.486404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.486404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.486404 (E_RNA)
where:
Base-Base interactions energy: -190.655
where: short stacking energy: -74.989
Base-Backbone interact. energy: -0.772
local terms energy: -105.059784
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -22.044
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -276.827997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.827997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.827997 (E_RNA)
where:
Base-Base interactions energy: -178.690
where: short stacking energy: -75.430
Base-Backbone interact. energy: -0.116
local terms energy: -98.021676
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -14.413
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: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -278.548655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.548655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.548655 (E_RNA)
where:
Base-Base interactions energy: -175.744
where: short stacking energy: -80.217
Base-Backbone interact. energy: 0.367
local terms energy: -103.171973
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -243.060808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.060808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.060808 (E_RNA)
where:
Base-Base interactions energy: -156.346
where: short stacking energy: -78.103
Base-Backbone interact. energy: -0.309
local terms energy: -86.405505
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -280.928070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.928070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.928070 (E_RNA)
where:
Base-Base interactions energy: -179.534
where: short stacking energy: -75.162
Base-Backbone interact. energy: -1.387
local terms energy: -100.007719
where:
bonds (distance) C4'-P energy: -25.202
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -222.543473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.543473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.543473 (E_RNA)
where:
Base-Base interactions energy: -130.763
where: short stacking energy: -66.159
Base-Backbone interact. energy: -0.671
local terms energy: -91.109565
where:
bonds (distance) C4'-P energy: -24.808
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -112.681184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.681184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.681184 (E_RNA)
where:
Base-Base interactions energy: -45.999
where: short stacking energy: -35.102
Base-Backbone interact. energy: -0.346
local terms energy: -66.335672
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -11.331
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: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -364.411326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.411326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.411326 (E_RNA)
where:
Base-Base interactions energy: -254.132
where: short stacking energy: -91.642
Base-Backbone interact. energy: 0.109
local terms energy: -110.388489
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -29.401
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: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -336.546215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.546215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.546215 (E_RNA)
where:
Base-Base interactions energy: -207.755
where: short stacking energy: -87.337
Base-Backbone interact. energy: -0.434
local terms energy: -128.357121
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -30.096
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: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -304.931591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.931591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.931591 (E_RNA)
where:
Base-Base interactions energy: -189.998
where: short stacking energy: -87.524
Base-Backbone interact. energy: -0.246
local terms energy: -114.687808
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: -25.256
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: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -306.000620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.000620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.000620 (E_RNA)
where:
Base-Base interactions energy: -191.320
where: short stacking energy: -86.143
Base-Backbone interact. energy: -0.231
local terms energy: -114.449648
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -25.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -300.466045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.466045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.466045 (E_RNA)
where:
Base-Base interactions energy: -194.992
where: short stacking energy: -95.390
Base-Backbone interact. energy: -0.004
local terms energy: -105.469803
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -24.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -261.356150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.356150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.356150 (E_RNA)
where:
Base-Base interactions energy: -163.226
where: short stacking energy: -77.305
Base-Backbone interact. energy: -0.012
local terms energy: -98.117341
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -20.015
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: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -258.491820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.491820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.491820 (E_RNA)
where:
Base-Base interactions energy: -159.599
where: short stacking energy: -70.023
Base-Backbone interact. energy: -0.090
local terms energy: -98.802210
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -19.192
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: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -264.170344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.170344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.170344 (E_RNA)
where:
Base-Base interactions energy: -173.845
where: short stacking energy: -73.008
Base-Backbone interact. energy: -0.831
local terms energy: -89.494849
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -190.069604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.069604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.069604 (E_RNA)
where:
Base-Base interactions energy: -121.654
where: short stacking energy: -47.555
Base-Backbone interact. energy: -0.220
local terms energy: -68.196001
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -10.035
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: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -115.869798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.869798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.869798 (E_RNA)
where:
Base-Base interactions energy: -51.786
where: short stacking energy: -31.282
Base-Backbone interact. energy: 2.346
local terms energy: -66.429609
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: 6.210
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: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -377.285972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.285972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.285972 (E_RNA)
where:
Base-Base interactions energy: -258.529
where: short stacking energy: -103.796
Base-Backbone interact. energy: -0.356
local terms energy: -118.400927
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -32.232
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: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -343.760963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.760963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.760963 (E_RNA)
where:
Base-Base interactions energy: -238.405
where: short stacking energy: -102.219
Base-Backbone interact. energy: -0.550
local terms energy: -104.806219
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -26.609
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -27.315
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: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -307.607324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.607324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.607324 (E_RNA)
where:
Base-Base interactions energy: -198.769
where: short stacking energy: -98.116
Base-Backbone interact. energy: -0.753
local terms energy: -108.085619
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -22.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -308.353258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.353258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.353258 (E_RNA)
where:
Base-Base interactions energy: -197.694
where: short stacking energy: -95.396
Base-Backbone interact. energy: -0.061
local terms energy: -110.598451
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -27.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -292.719367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.719367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.719367 (E_RNA)
where:
Base-Base interactions energy: -186.243
where: short stacking energy: -92.372
Base-Backbone interact. energy: -0.895
local terms energy: -105.581471
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -24.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -272.714680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.714680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.714680 (E_RNA)
where:
Base-Base interactions energy: -165.076
where: short stacking energy: -87.418
Base-Backbone interact. energy: 0.393
local terms energy: -108.032131
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -25.571
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: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -260.059811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.059811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.059811 (E_RNA)
where:
Base-Base interactions energy: -172.008
where: short stacking energy: -74.624
Base-Backbone interact. energy: -0.245
local terms energy: -87.807097
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -7.484
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: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -199.800823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.800823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.800823 (E_RNA)
where:
Base-Base interactions energy: -127.706
where: short stacking energy: -58.650
Base-Backbone interact. energy: -0.576
local terms energy: -71.518542
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -24.582
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -8.093
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: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -247.392477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.392477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.392477 (E_RNA)
where:
Base-Base interactions energy: -158.598
where: short stacking energy: -76.106
Base-Backbone interact. energy: -0.248
local terms energy: -88.547070
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -119.475514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.475514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.475514 (E_RNA)
where:
Base-Base interactions energy: -47.123
where: short stacking energy: -40.991
Base-Backbone interact. energy: 0.343
local terms energy: -72.695534
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -376.563784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.563784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.563784 (E_RNA)
where:
Base-Base interactions energy: -257.451
where: short stacking energy: -104.934
Base-Backbone interact. energy: -1.188
local terms energy: -117.925116
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -29.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -342.274075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.274075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.274075 (E_RNA)
where:
Base-Base interactions energy: -221.966
where: short stacking energy: -109.207
Base-Backbone interact. energy: -0.754
local terms energy: -119.553917
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -31.902
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: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -304.333541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.333541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.333541 (E_RNA)
where:
Base-Base interactions energy: -190.567
where: short stacking energy: -93.076
Base-Backbone interact. energy: -0.789
local terms energy: -112.977142
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -27.018
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: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -303.078504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.078504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.078504 (E_RNA)
where:
Base-Base interactions energy: -193.961
where: short stacking energy: -88.440
Base-Backbone interact. energy: -0.140
local terms energy: -108.977241
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -25.143
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: 154
Temperature: 1.100000
Total energy: -289.613313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.613313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.613313 (E_RNA)
where:
Base-Base interactions energy: -182.031
where: short stacking energy: -81.902
Base-Backbone interact. energy: -0.104
local terms energy: -107.478762
where:
bonds (distance) C4'-P energy: -26.693
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -266.514818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.514818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.514818 (E_RNA)
where:
Base-Base interactions energy: -160.193
where: short stacking energy: -76.495
Base-Backbone interact. energy: -0.188
local terms energy: -106.134515
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -16.460
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: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -257.958229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.958229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.958229 (E_RNA)
where:
Base-Base interactions energy: -166.534
where: short stacking energy: -76.318
Base-Backbone interact. energy: -0.301
local terms energy: -91.123117
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -12.227
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: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -242.533489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.533489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.533489 (E_RNA)
where:
Base-Base interactions energy: -139.537
where: short stacking energy: -68.728
Base-Backbone interact. energy: 0.003
local terms energy: -102.999297
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -16.726
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: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -228.020347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.020347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.020347 (E_RNA)
where:
Base-Base interactions energy: -134.889
where: short stacking energy: -55.523
Base-Backbone interact. energy: 0.813
local terms energy: -93.944258
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -121.579135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.579135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.579135 (E_RNA)
where:
Base-Base interactions energy: -39.912
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.401
local terms energy: -81.266988
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -19.569
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: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -385.436859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.436859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.436859 (E_RNA)
where:
Base-Base interactions energy: -256.978
where: short stacking energy: -113.372
Base-Backbone interact. energy: -0.940
local terms energy: -127.518520
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -34.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -349.681389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.681389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.681389 (E_RNA)
where:
Base-Base interactions energy: -225.361
where: short stacking energy: -99.828
Base-Backbone interact. energy: -0.165
local terms energy: -124.155610
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: -33.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -320.083191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.083191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.083191 (E_RNA)
where:
Base-Base interactions energy: -210.713
where: short stacking energy: -103.748
Base-Backbone interact. energy: -0.009
local terms energy: -109.361336
where:
bonds (distance) C4'-P energy: -26.152
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -305.338824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.338824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.338824 (E_RNA)
where:
Base-Base interactions energy: -196.663
where: short stacking energy: -90.362
Base-Backbone interact. energy: -0.017
local terms energy: -108.658059
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -27.707
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -18.034
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: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -289.298350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.298350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.298350 (E_RNA)
where:
Base-Base interactions energy: -183.951
where: short stacking energy: -88.175
Base-Backbone interact. energy: -1.087
local terms energy: -104.260584
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -24.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -271.170018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.170018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.170018 (E_RNA)
where:
Base-Base interactions energy: -160.420
where: short stacking energy: -82.692
Base-Backbone interact. energy: -0.076
local terms energy: -110.673705
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -242.829275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.829275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.829275 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -70.295
Base-Backbone interact. energy: -0.245
local terms energy: -108.156445
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -20.625
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: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -242.371058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.371058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.371058 (E_RNA)
where:
Base-Base interactions energy: -145.723
where: short stacking energy: -68.261
Base-Backbone interact. energy: -0.188
local terms energy: -96.460402
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -240.987072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.987072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.987072 (E_RNA)
where:
Base-Base interactions energy: -146.561
where: short stacking energy: -83.170
Base-Backbone interact. energy: -0.026
local terms energy: -94.400235
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -20.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -107.523419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.523419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.523419 (E_RNA)
where:
Base-Base interactions energy: -39.639
where: short stacking energy: -39.639
Base-Backbone interact. energy: -0.581
local terms energy: -67.303262
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -13.453
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: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -359.581115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.581115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.581115 (E_RNA)
where:
Base-Base interactions energy: -233.070
where: short stacking energy: -112.114
Base-Backbone interact. energy: -0.620
local terms energy: -125.891248
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -20.159
tors. eta vs tors. theta energy: -33.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -362.525050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.525050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.525050 (E_RNA)
where:
Base-Base interactions energy: -245.354
where: short stacking energy: -100.694
Base-Backbone interact. energy: -0.241
local terms energy: -116.929892
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -30.716
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: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -323.074684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.074684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.074684 (E_RNA)
where:
Base-Base interactions energy: -207.779
where: short stacking energy: -99.347
Base-Backbone interact. energy: -0.042
local terms energy: -115.253621
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -22.497
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -292.904442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.904442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.904442 (E_RNA)
where:
Base-Base interactions energy: -184.309
where: short stacking energy: -86.055
Base-Backbone interact. energy: -0.891
local terms energy: -107.704065
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -24.387
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -22.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -287.420530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.420530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.420530 (E_RNA)
where:
Base-Base interactions energy: -170.619
where: short stacking energy: -77.063
Base-Backbone interact. energy: -0.046
local terms energy: -116.756213
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -26.766
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -19.735
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: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -274.052019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.052019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.052019 (E_RNA)
where:
Base-Base interactions energy: -184.236
where: short stacking energy: -66.858
Base-Backbone interact. energy: -0.520
local terms energy: -89.295731
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -12.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -236.792193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.792193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.792193 (E_RNA)
where:
Base-Base interactions energy: -138.856
where: short stacking energy: -53.007
Base-Backbone interact. energy: -0.142
local terms energy: -97.794497
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -16.117
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: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -244.212506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.212506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.212506 (E_RNA)
where:
Base-Base interactions energy: -155.049
where: short stacking energy: -69.216
Base-Backbone interact. energy: -0.049
local terms energy: -89.114110
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -13.778
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: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -244.444723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.444723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.444723 (E_RNA)
where:
Base-Base interactions energy: -151.080
where: short stacking energy: -65.226
Base-Backbone interact. energy: -0.366
local terms energy: -92.999441
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -15.682
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: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -118.655118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.655118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.655118 (E_RNA)
where:
Base-Base interactions energy: -51.884
where: short stacking energy: -41.255
Base-Backbone interact. energy: -0.379
local terms energy: -66.392173
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: 1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -366.289516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.289516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.289516 (E_RNA)
where:
Base-Base interactions energy: -239.204
where: short stacking energy: -107.388
Base-Backbone interact. energy: -1.241
local terms energy: -125.844127
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -35.720
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: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -358.089700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.089700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.089700 (E_RNA)
where:
Base-Base interactions energy: -243.428
where: short stacking energy: -101.515
Base-Backbone interact. energy: -0.582
local terms energy: -114.079128
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -29.870
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: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -331.310691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.310691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.310691 (E_RNA)
where:
Base-Base interactions energy: -209.757
where: short stacking energy: -98.367
Base-Backbone interact. energy: -0.374
local terms energy: -121.180126
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -27.575
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -25.743
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: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -319.706275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.706275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.706275 (E_RNA)
where:
Base-Base interactions energy: -201.954
where: short stacking energy: -94.121
Base-Backbone interact. energy: -0.040
local terms energy: -117.711971
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -24.134
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: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -311.313413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.313413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.313413 (E_RNA)
where:
Base-Base interactions energy: -200.402
where: short stacking energy: -95.879
Base-Backbone interact. energy: -0.061
local terms energy: -110.850219
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -25.440
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: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -278.578300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.578300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.578300 (E_RNA)
where:
Base-Base interactions energy: -176.854
where: short stacking energy: -75.456
Base-Backbone interact. energy: -0.011
local terms energy: -101.713500
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -252.591308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.591308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.591308 (E_RNA)
where:
Base-Base interactions energy: -162.145
where: short stacking energy: -73.023
Base-Backbone interact. energy: -1.260
local terms energy: -89.186482
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -20.094
tors. eta vs tors. theta energy: -8.773
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: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -260.870889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.870889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.870889 (E_RNA)
where:
Base-Base interactions energy: -172.067
where: short stacking energy: -72.692
Base-Backbone interact. energy: -0.235
local terms energy: -88.568809
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -254.557557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.557557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.557557 (E_RNA)
where:
Base-Base interactions energy: -159.832
where: short stacking energy: -74.753
Base-Backbone interact. energy: -1.009
local terms energy: -93.716911
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -123.737516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.737516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.737516 (E_RNA)
where:
Base-Base interactions energy: -42.619
where: short stacking energy: -33.583
Base-Backbone interact. energy: 0.600
local terms energy: -81.718577
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -21.744
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -13.317
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: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -357.292904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.292904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.292904 (E_RNA)
where:
Base-Base interactions energy: -241.798
where: short stacking energy: -97.477
Base-Backbone interact. energy: -0.841
local terms energy: -114.654676
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -24.988
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -27.992
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: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -351.301459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.301459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.301459 (E_RNA)
where:
Base-Base interactions energy: -226.669
where: short stacking energy: -101.594
Base-Backbone interact. energy: 0.669
local terms energy: -125.301052
where:
bonds (distance) C4'-P energy: -25.507
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -25.824
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -32.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -326.708278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.708278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.708278 (E_RNA)
where:
Base-Base interactions energy: -217.926
where: short stacking energy: -106.062
Base-Backbone interact. energy: -0.110
local terms energy: -108.671901
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -308.773599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.773599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.773599 (E_RNA)
where:
Base-Base interactions energy: -203.246
where: short stacking energy: -94.012
Base-Backbone interact. energy: -0.120
local terms energy: -105.407578
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -23.987
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: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -307.425995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.425995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.425995 (E_RNA)
where:
Base-Base interactions energy: -197.652
where: short stacking energy: -87.957
Base-Backbone interact. energy: -0.373
local terms energy: -109.401558
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -26.475
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -273.783791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.783791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.783791 (E_RNA)
where:
Base-Base interactions energy: -170.986
where: short stacking energy: -73.737
Base-Backbone interact. energy: -1.158
local terms energy: -101.639713
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -252.714961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.714961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.714961 (E_RNA)
where:
Base-Base interactions energy: -148.297
where: short stacking energy: -72.332
Base-Backbone interact. energy: 0.340
local terms energy: -104.757728
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -18.075
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: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -256.108378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.108378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.108378 (E_RNA)
where:
Base-Base interactions energy: -161.163
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.296
local terms energy: -94.649070
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -204.295667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.295667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.295667 (E_RNA)
where:
Base-Base interactions energy: -112.991
where: short stacking energy: -49.272
Base-Backbone interact. energy: -0.086
local terms energy: -91.218755
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -8.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -113.878082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.878082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.878082 (E_RNA)
where:
Base-Base interactions energy: -38.728
where: short stacking energy: -34.914
Base-Backbone interact. energy: 0.428
local terms energy: -75.578345
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -26.773
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: 1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -368.723584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.723584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.723584 (E_RNA)
where:
Base-Base interactions energy: -251.049
where: short stacking energy: -92.799
Base-Backbone interact. energy: -0.463
local terms energy: -117.212221
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -27.029
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: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -352.399360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.399360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.399360 (E_RNA)
where:
Base-Base interactions energy: -235.944
where: short stacking energy: -107.174
Base-Backbone interact. energy: -0.323
local terms energy: -116.133228
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -27.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -312.303994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.303994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.303994 (E_RNA)
where:
Base-Base interactions energy: -201.195
where: short stacking energy: -89.628
Base-Backbone interact. energy: -0.321
local terms energy: -110.788086
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -25.868
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: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -296.082283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.082283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.082283 (E_RNA)
where:
Base-Base interactions energy: -179.383
where: short stacking energy: -83.052
Base-Backbone interact. energy: -0.591
local terms energy: -116.108679
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -290.750072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.750072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.750072 (E_RNA)
where:
Base-Base interactions energy: -183.631
where: short stacking energy: -92.191
Base-Backbone interact. energy: -1.318
local terms energy: -105.801351
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -25.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -248.849069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.849069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.849069 (E_RNA)
where:
Base-Base interactions energy: -156.835
where: short stacking energy: -72.006
Base-Backbone interact. energy: -0.518
local terms energy: -91.496188
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -13.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -255.818239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.818239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.818239 (E_RNA)
where:
Base-Base interactions energy: -164.802
where: short stacking energy: -71.123
Base-Backbone interact. energy: -0.852
local terms energy: -90.164751
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -246.736565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.736565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.736565 (E_RNA)
where:
Base-Base interactions energy: -159.793
where: short stacking energy: -66.517
Base-Backbone interact. energy: -0.559
local terms energy: -86.384164
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -225.379629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.379629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.379629 (E_RNA)
where:
Base-Base interactions energy: -136.547
where: short stacking energy: -72.437
Base-Backbone interact. energy: -0.084
local terms energy: -88.748089
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -115.541931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.541931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.541931 (E_RNA)
where:
Base-Base interactions energy: -34.530
where: short stacking energy: -28.782
Base-Backbone interact. energy: -0.407
local terms energy: -80.604769
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -377.519114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.519114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.519114 (E_RNA)
where:
Base-Base interactions energy: -239.603
where: short stacking energy: -108.721
Base-Backbone interact. energy: -0.354
local terms energy: -137.562575
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -34.223
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: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -357.354439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.354439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.354439 (E_RNA)
where:
Base-Base interactions energy: -231.366
where: short stacking energy: -104.702
Base-Backbone interact. energy: -0.006
local terms energy: -125.982238
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -37.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -318.061067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.061067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.061067 (E_RNA)
where:
Base-Base interactions energy: -206.874
where: short stacking energy: -97.241
Base-Backbone interact. energy: -0.188
local terms energy: -110.999667
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -28.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -300.930629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.930629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.930629 (E_RNA)
where:
Base-Base interactions energy: -190.839
where: short stacking energy: -96.468
Base-Backbone interact. energy: 0.524
local terms energy: -110.615575
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -25.474
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -25.202
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: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -299.086747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.086747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.086747 (E_RNA)
where:
Base-Base interactions energy: -193.806
where: short stacking energy: -77.218
Base-Backbone interact. energy: -0.437
local terms energy: -104.844065
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -245.208185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.208185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.208185 (E_RNA)
where:
Base-Base interactions energy: -148.569
where: short stacking energy: -77.927
Base-Backbone interact. energy: -0.784
local terms energy: -95.855500
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -16.504
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: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -251.043394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.043394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.043394 (E_RNA)
where:
Base-Base interactions energy: -158.492
where: short stacking energy: -65.665
Base-Backbone interact. energy: -1.026
local terms energy: -91.525402
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -22.214
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -248.727798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.727798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.727798 (E_RNA)
where:
Base-Base interactions energy: -154.943
where: short stacking energy: -62.402
Base-Backbone interact. energy: -0.272
local terms energy: -93.512579
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -15.518
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: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -233.717374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.717374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.717374 (E_RNA)
where:
Base-Base interactions energy: -153.292
where: short stacking energy: -74.396
Base-Backbone interact. energy: -1.853
local terms energy: -78.571899
where:
bonds (distance) C4'-P energy: -6.778
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -13.951
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: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -111.246265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.246265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.246265 (E_RNA)
where:
Base-Base interactions energy: -28.148
where: short stacking energy: -20.908
Base-Backbone interact. energy: -0.966
local terms energy: -82.131682
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: 0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -377.835083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.835083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.835083 (E_RNA)
where:
Base-Base interactions energy: -261.697
where: short stacking energy: -115.032
Base-Backbone interact. energy: 0.330
local terms energy: -116.468316
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -26.602
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -36.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -344.727978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.727978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.727978 (E_RNA)
where:
Base-Base interactions energy: -220.596
where: short stacking energy: -92.529
Base-Backbone interact. energy: -0.057
local terms energy: -124.075069
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -26.390
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -32.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -304.761587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.761587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.761587 (E_RNA)
where:
Base-Base interactions energy: -193.531
where: short stacking energy: -88.951
Base-Backbone interact. energy: -0.477
local terms energy: -110.754096
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -26.341
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -291.884080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.884080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.884080 (E_RNA)
where:
Base-Base interactions energy: -178.885
where: short stacking energy: -85.529
Base-Backbone interact. energy: -0.301
local terms energy: -112.698017
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -28.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -288.210174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.210174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.210174 (E_RNA)
where:
Base-Base interactions energy: -186.700
where: short stacking energy: -76.353
Base-Backbone interact. energy: -0.820
local terms energy: -100.690060
where:
bonds (distance) C4'-P energy: -26.619
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -235.196566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.196566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.196566 (E_RNA)
where:
Base-Base interactions energy: -136.207
where: short stacking energy: -66.350
Base-Backbone interact. energy: -0.288
local terms energy: -98.701468
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -15.481
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: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -273.245233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.245233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.245233 (E_RNA)
where:
Base-Base interactions energy: -168.026
where: short stacking energy: -88.539
Base-Backbone interact. energy: -0.302
local terms energy: -104.917506
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -16.624
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: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -240.001674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.001674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.001674 (E_RNA)
where:
Base-Base interactions energy: -148.068
where: short stacking energy: -68.424
Base-Backbone interact. energy: -0.200
local terms energy: -91.733877
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -220.731799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.731799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.731799 (E_RNA)
where:
Base-Base interactions energy: -141.589
where: short stacking energy: -52.694
Base-Backbone interact. energy: -2.004
local terms energy: -77.137967
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -15.293
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: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -107.302226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.302226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.302226 (E_RNA)
where:
Base-Base interactions energy: -32.653
where: short stacking energy: -29.079
Base-Backbone interact. energy: -0.989
local terms energy: -73.660519
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -8.449
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: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -374.628824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.628824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.628824 (E_RNA)
where:
Base-Base interactions energy: -250.946
where: short stacking energy: -99.513
Base-Backbone interact. energy: -1.148
local terms energy: -122.535597
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -30.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -340.953341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.953341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.953341 (E_RNA)
where:
Base-Base interactions energy: -227.209
where: short stacking energy: -91.595
Base-Backbone interact. energy: -0.734
local terms energy: -113.010022
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -24.528
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -24.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -294.698561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.698561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.698561 (E_RNA)
where:
Base-Base interactions energy: -174.748
where: short stacking energy: -83.510
Base-Backbone interact. energy: -0.742
local terms energy: -119.208468
where:
bonds (distance) C4'-P energy: -27.782
bonds (distance) P-C4' energy: -27.738
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -19.229
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: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -280.156907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.156907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.156907 (E_RNA)
where:
Base-Base interactions energy: -170.948
where: short stacking energy: -90.283
Base-Backbone interact. energy: -0.265
local terms energy: -108.944024
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -280.530615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.530615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.530615 (E_RNA)
where:
Base-Base interactions energy: -177.414
where: short stacking energy: -73.395
Base-Backbone interact. energy: -0.588
local terms energy: -102.528622
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -25.938
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -18.581
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: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -263.487854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.487854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.487854 (E_RNA)
where:
Base-Base interactions energy: -165.272
where: short stacking energy: -70.711
Base-Backbone interact. energy: -0.461
local terms energy: -97.755130
where:
bonds (distance) C4'-P energy: -23.271
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -272.792442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.792442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.792442 (E_RNA)
where:
Base-Base interactions energy: -173.144
where: short stacking energy: -80.899
Base-Backbone interact. energy: -0.062
local terms energy: -99.586739
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -22.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -245.244820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.244820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.244820 (E_RNA)
where:
Base-Base interactions energy: -149.249
where: short stacking energy: -70.038
Base-Backbone interact. energy: 2.275
local terms energy: -98.270545
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -16.812
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: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -180.558256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.558256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.558256 (E_RNA)
where:
Base-Base interactions energy: -102.169
where: short stacking energy: -36.534
Base-Backbone interact. energy: -0.417
local terms energy: -77.972323
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -106.283917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.283917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.283917 (E_RNA)
where:
Base-Base interactions energy: -40.502
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.538
local terms energy: -65.244307
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: 5.072
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: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -376.921534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.921534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.921534 (E_RNA)
where:
Base-Base interactions energy: -251.041
where: short stacking energy: -111.819
Base-Backbone interact. energy: -0.542
local terms energy: -125.338538
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -35.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -332.960219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.960219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.960219 (E_RNA)
where:
Base-Base interactions energy: -215.134
where: short stacking energy: -94.075
Base-Backbone interact. energy: -0.867
local terms energy: -116.958918
where:
bonds (distance) C4'-P energy: -26.607
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -327.359084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.359084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.359084 (E_RNA)
where:
Base-Base interactions energy: -211.576
where: short stacking energy: -97.952
Base-Backbone interact. energy: -1.663
local terms energy: -114.119870
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -27.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -286.605534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.605534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.605534 (E_RNA)
where:
Base-Base interactions energy: -184.186
where: short stacking energy: -84.209
Base-Backbone interact. energy: -0.038
local terms energy: -102.381739
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -26.003
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -287.340910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.340910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.340910 (E_RNA)
where:
Base-Base interactions energy: -175.184
where: short stacking energy: -80.530
Base-Backbone interact. energy: -0.905
local terms energy: -111.252435
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -26.607
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -263.881627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.881627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.881627 (E_RNA)
where:
Base-Base interactions energy: -172.930
where: short stacking energy: -72.139
Base-Backbone interact. energy: -0.580
local terms energy: -90.371689
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -235.252161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.252161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.252161 (E_RNA)
where:
Base-Base interactions energy: -144.982
where: short stacking energy: -65.839
Base-Backbone interact. energy: -0.114
local terms energy: -90.156294
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -24.072
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -252.356748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.356748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.356748 (E_RNA)
where:
Base-Base interactions energy: -150.218
where: short stacking energy: -59.343
Base-Backbone interact. energy: -0.140
local terms energy: -101.998532
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -204.547821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.547821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.547821 (E_RNA)
where:
Base-Base interactions energy: -121.792
where: short stacking energy: -53.119
Base-Backbone interact. energy: -0.167
local terms energy: -82.589380
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -121.492706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.492706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.492706 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -31.943
Base-Backbone interact. energy: -0.213
local terms energy: -84.083193
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -366.663806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.663806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.663806 (E_RNA)
where:
Base-Base interactions energy: -240.741
where: short stacking energy: -102.564
Base-Backbone interact. energy: -0.287
local terms energy: -125.636346
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -30.618
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: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -368.074104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.074104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.074104 (E_RNA)
where:
Base-Base interactions energy: -243.226
where: short stacking energy: -110.267
Base-Backbone interact. energy: -1.012
local terms energy: -123.836297
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -34.193
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: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -330.393017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.393017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.393017 (E_RNA)
where:
Base-Base interactions energy: -207.884
where: short stacking energy: -100.440
Base-Backbone interact. energy: -0.618
local terms energy: -121.891023
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -24.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -308.533843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.533843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.533843 (E_RNA)
where:
Base-Base interactions energy: -200.947
where: short stacking energy: -98.570
Base-Backbone interact. energy: -0.865
local terms energy: -106.722262
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -274.786074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.786074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.786074 (E_RNA)
where:
Base-Base interactions energy: -173.392
where: short stacking energy: -81.541
Base-Backbone interact. energy: -0.208
local terms energy: -101.186625
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -268.287295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.287295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.287295 (E_RNA)
where:
Base-Base interactions energy: -172.295
where: short stacking energy: -76.821
Base-Backbone interact. energy: 0.560
local terms energy: -96.552412
where:
bonds (distance) C4'-P energy: -24.395
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -15.701
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: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -248.516226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.516226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.516226 (E_RNA)
where:
Base-Base interactions energy: -153.262
where: short stacking energy: -66.643
Base-Backbone interact. energy: 0.667
local terms energy: -95.920661
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -242.800192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.800192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.800192 (E_RNA)
where:
Base-Base interactions energy: -144.318
where: short stacking energy: -72.420
Base-Backbone interact. energy: -1.305
local terms energy: -97.177318
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -17.159
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: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -114.876218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.876218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.876218 (E_RNA)
where:
Base-Base interactions energy: -37.509
where: short stacking energy: -37.509
Base-Backbone interact. energy: -0.428
local terms energy: -76.939044
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -11.738
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: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -204.387415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.387415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.387415 (E_RNA)
where:
Base-Base interactions energy: -125.502
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.343
local terms energy: -78.542709
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: 1.570
tors. eta vs tors. theta energy: -12.376
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: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -368.970106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.970106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.970106 (E_RNA)
where:
Base-Base interactions energy: -249.655
where: short stacking energy: -108.970
Base-Backbone interact. energy: -0.286
local terms energy: -119.028889
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -35.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -375.045246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.045246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.045246 (E_RNA)
where:
Base-Base interactions energy: -250.885
where: short stacking energy: -104.003
Base-Backbone interact. energy: -0.845
local terms energy: -123.315363
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -25.946
flat angles C4'-P-C4' energy: -27.384
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -34.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -327.652527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.652527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.652527 (E_RNA)
where:
Base-Base interactions energy: -202.475
where: short stacking energy: -97.292
Base-Backbone interact. energy: 1.295
local terms energy: -126.473483
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -23.618
flat angles C4'-P-C4' energy: -28.799
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -35.428
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: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -316.756855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.756855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.756855 (E_RNA)
where:
Base-Base interactions energy: -199.609
where: short stacking energy: -98.897
Base-Backbone interact. energy: -0.146
local terms energy: -117.001340
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -26.703
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -29.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -266.905787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.905787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.905787 (E_RNA)
where:
Base-Base interactions energy: -162.999
where: short stacking energy: -71.975
Base-Backbone interact. energy: -0.435
local terms energy: -103.471531
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -26.359
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -269.631354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.631354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.631354 (E_RNA)
where:
Base-Base interactions energy: -173.651
where: short stacking energy: -75.280
Base-Backbone interact. energy: -0.138
local terms energy: -95.842824
where:
bonds (distance) C4'-P energy: -25.965
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -233.240959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.240959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.240959 (E_RNA)
where:
Base-Base interactions energy: -133.113
where: short stacking energy: -60.962
Base-Backbone interact. energy: 2.957
local terms energy: -103.084667
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -14.490
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: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -239.177158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.177158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.177158 (E_RNA)
where:
Base-Base interactions energy: -149.988
where: short stacking energy: -72.776
Base-Backbone interact. energy: -1.975
local terms energy: -87.214105
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -6.927
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -137.915330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.915330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.915330 (E_RNA)
where:
Base-Base interactions energy: -57.550
where: short stacking energy: -37.496
Base-Backbone interact. energy: 0.112
local terms energy: -80.476683
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -207.165680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.165680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.165680 (E_RNA)
where:
Base-Base interactions energy: -125.224
where: short stacking energy: -66.278
Base-Backbone interact. energy: -0.350
local terms energy: -81.592518
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -382.136261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.136261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.136261 (E_RNA)
where:
Base-Base interactions energy: -252.918
where: short stacking energy: -112.991
Base-Backbone interact. energy: -0.566
local terms energy: -128.652414
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -34.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -359.326277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.326277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.326277 (E_RNA)
where:
Base-Base interactions energy: -234.393
where: short stacking energy: -102.088
Base-Backbone interact. energy: -0.006
local terms energy: -124.927228
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -26.969
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -34.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -327.031554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.031554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.031554 (E_RNA)
where:
Base-Base interactions energy: -211.842
where: short stacking energy: -109.210
Base-Backbone interact. energy: -0.004
local terms energy: -115.185632
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -30.362
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -27.052
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: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -323.477683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.477683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.477683 (E_RNA)
where:
Base-Base interactions energy: -209.796
where: short stacking energy: -103.019
Base-Backbone interact. energy: 0.241
local terms energy: -113.922229
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -30.332
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: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -289.218479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.218479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.218479 (E_RNA)
where:
Base-Base interactions energy: -179.492
where: short stacking energy: -86.244
Base-Backbone interact. energy: -0.183
local terms energy: -109.542933
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -25.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -258.585332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.585332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.585332 (E_RNA)
where:
Base-Base interactions energy: -170.252
where: short stacking energy: -73.721
Base-Backbone interact. energy: -0.369
local terms energy: -87.963926
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -27.247
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -9.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -237.755738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.755738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.755738 (E_RNA)
where:
Base-Base interactions energy: -152.129
where: short stacking energy: -65.485
Base-Backbone interact. energy: -1.013
local terms energy: -84.613341
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -13.568
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: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -227.448703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.448703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.448703 (E_RNA)
where:
Base-Base interactions energy: -138.753
where: short stacking energy: -61.841
Base-Backbone interact. energy: -0.689
local terms energy: -88.006723
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -14.612
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: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -238.610191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.610191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.610191 (E_RNA)
where:
Base-Base interactions energy: -142.088
where: short stacking energy: -58.089
Base-Backbone interact. energy: -0.581
local terms energy: -95.940513
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -25.550
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -11.194
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: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -107.020508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.020508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.020508 (E_RNA)
where:
Base-Base interactions energy: -39.710
where: short stacking energy: -31.565
Base-Backbone interact. energy: -0.414
local terms energy: -66.896450
where:
bonds (distance) C4'-P energy: -26.544
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -383.952446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.952446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.952446 (E_RNA)
where:
Base-Base interactions energy: -263.580
where: short stacking energy: -109.518
Base-Backbone interact. energy: 0.420
local terms energy: -120.792865
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -33.216
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: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -361.780877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.780877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.780877 (E_RNA)
where:
Base-Base interactions energy: -239.305
where: short stacking energy: -111.327
Base-Backbone interact. energy: -0.781
local terms energy: -121.694297
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -26.182
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -33.703
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: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -323.017425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.017425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.017425 (E_RNA)
where:
Base-Base interactions energy: -211.287
where: short stacking energy: -94.229
Base-Backbone interact. energy: -0.309
local terms energy: -111.421893
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -27.659
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -23.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -304.857776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.857776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.857776 (E_RNA)
where:
Base-Base interactions energy: -197.766
where: short stacking energy: -90.348
Base-Backbone interact. energy: 0.307
local terms energy: -107.398502
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -27.034
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -19.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -301.187085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.187085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.187085 (E_RNA)
where:
Base-Base interactions energy: -183.334
where: short stacking energy: -94.527
Base-Backbone interact. energy: 0.364
local terms energy: -118.216445
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -26.858
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: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -277.052366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.052366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.052366 (E_RNA)
where:
Base-Base interactions energy: -195.563
where: short stacking energy: -70.355
Base-Backbone interact. energy: -0.153
local terms energy: -81.336252
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -260.884097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.884097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.884097 (E_RNA)
where:
Base-Base interactions energy: -162.215
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.148
local terms energy: -98.520595
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -264.329086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.329086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.329086 (E_RNA)
where:
Base-Base interactions energy: -173.123
where: short stacking energy: -85.078
Base-Backbone interact. energy: -0.779
local terms energy: -90.427638
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -226.619103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.619103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.619103 (E_RNA)
where:
Base-Base interactions energy: -131.318
where: short stacking energy: -58.500
Base-Backbone interact. energy: 0.674
local terms energy: -95.975753
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -113.214441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.214441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.214441 (E_RNA)
where:
Base-Base interactions energy: -40.366
where: short stacking energy: -38.106
Base-Backbone interact. energy: -0.002
local terms energy: -72.846352
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -377.617177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.617177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.617177 (E_RNA)
where:
Base-Base interactions energy: -260.032
where: short stacking energy: -102.893
Base-Backbone interact. energy: -0.914
local terms energy: -116.671253
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -22.505
flat angles C4'-P-C4' energy: -25.648
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -28.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -352.791327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.791327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.791327 (E_RNA)
where:
Base-Base interactions energy: -231.950
where: short stacking energy: -105.688
Base-Backbone interact. energy: 0.468
local terms energy: -121.308750
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -28.200
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -31.579
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: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -307.878580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.878580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.878580 (E_RNA)
where:
Base-Base interactions energy: -197.623
where: short stacking energy: -87.883
Base-Backbone interact. energy: -0.658
local terms energy: -109.597248
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -25.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -307.557300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.557300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.557300 (E_RNA)
where:
Base-Base interactions energy: -187.361
where: short stacking energy: -98.067
Base-Backbone interact. energy: -0.787
local terms energy: -119.409030
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -25.981
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -26.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -291.884610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.884610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.884610 (E_RNA)
where:
Base-Base interactions energy: -195.763
where: short stacking energy: -82.573
Base-Backbone interact. energy: -0.266
local terms energy: -95.855837
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -263.310773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.310773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.310773 (E_RNA)
where:
Base-Base interactions energy: -157.078
where: short stacking energy: -75.302
Base-Backbone interact. energy: -0.696
local terms energy: -105.536963
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -27.631
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -262.018751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.018751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.018751 (E_RNA)
where:
Base-Base interactions energy: -166.920
where: short stacking energy: -74.444
Base-Backbone interact. energy: 0.017
local terms energy: -95.116207
where:
bonds (distance) C4'-P energy: -25.656
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -254.851899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.851899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.851899 (E_RNA)
where:
Base-Base interactions energy: -165.799
where: short stacking energy: -75.746
Base-Backbone interact. energy: -0.922
local terms energy: -88.130620
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -227.442491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.442491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.442491 (E_RNA)
where:
Base-Base interactions energy: -143.405
where: short stacking energy: -67.638
Base-Backbone interact. energy: -0.249
local terms energy: -83.787858
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -12.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -102.433404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.433404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.433404 (E_RNA)
where:
Base-Base interactions energy: -40.592
where: short stacking energy: -32.170
Base-Backbone interact. energy: -1.228
local terms energy: -60.613947
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: 6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -384.863360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.863360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.863360 (E_RNA)
where:
Base-Base interactions energy: -264.650
where: short stacking energy: -105.892
Base-Backbone interact. energy: -0.843
local terms energy: -119.370221
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -33.686
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: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -347.153078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.153078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.153078 (E_RNA)
where:
Base-Base interactions energy: -235.418
where: short stacking energy: -105.434
Base-Backbone interact. energy: 0.324
local terms energy: -112.059216
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -27.158
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: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -306.971037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.971037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.971037 (E_RNA)
where:
Base-Base interactions energy: -188.923
where: short stacking energy: -97.745
Base-Backbone interact. energy: -0.028
local terms energy: -118.020211
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -29.515
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -289.058162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.058162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.058162 (E_RNA)
where:
Base-Base interactions energy: -180.818
where: short stacking energy: -85.327
Base-Backbone interact. energy: -0.035
local terms energy: -108.205523
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -281.445013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.445013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.445013 (E_RNA)
where:
Base-Base interactions energy: -172.980
where: short stacking energy: -78.679
Base-Backbone interact. energy: -0.864
local terms energy: -107.600834
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -27.240
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -258.492045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.492045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.492045 (E_RNA)
where:
Base-Base interactions energy: -157.173
where: short stacking energy: -71.981
Base-Backbone interact. energy: -0.155
local terms energy: -101.163474
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -23.830
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -277.498658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.498658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.498658 (E_RNA)
where:
Base-Base interactions energy: -175.469
where: short stacking energy: -80.041
Base-Backbone interact. energy: -0.010
local terms energy: -102.019451
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -25.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -238.564351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.564351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.564351 (E_RNA)
where:
Base-Base interactions energy: -160.205
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.631
local terms energy: -77.727924
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -219.277818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.277818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.277818 (E_RNA)
where:
Base-Base interactions energy: -140.785
where: short stacking energy: -48.024
Base-Backbone interact. energy: -0.438
local terms energy: -78.055087
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -111.557907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.557907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.557907 (E_RNA)
where:
Base-Base interactions energy: -34.957
where: short stacking energy: -28.935
Base-Backbone interact. energy: -0.139
local terms energy: -76.462468
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -389.920842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.920842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.920842 (E_RNA)
where:
Base-Base interactions energy: -259.303
where: short stacking energy: -108.746
Base-Backbone interact. energy: -0.643
local terms energy: -129.975538
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -27.597
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -36.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -364.946338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.946338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.946338 (E_RNA)
where:
Base-Base interactions energy: -239.485
where: short stacking energy: -115.761
Base-Backbone interact. energy: -0.264
local terms energy: -125.197327
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -31.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -312.982822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.982822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.982822 (E_RNA)
where:
Base-Base interactions energy: -193.023
where: short stacking energy: -91.793
Base-Backbone interact. energy: -0.483
local terms energy: -119.476625
where:
bonds (distance) C4'-P energy: -26.446
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -26.889
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -302.027806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.027806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.027806 (E_RNA)
where:
Base-Base interactions energy: -191.098
where: short stacking energy: -92.007
Base-Backbone interact. energy: -0.174
local terms energy: -110.755432
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -27.011
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -24.398
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: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -261.597729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.597729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.597729 (E_RNA)
where:
Base-Base interactions energy: -162.945
where: short stacking energy: -72.910
Base-Backbone interact. energy: -0.249
local terms energy: -98.404411
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -18.705
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: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -257.586861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.586861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.586861 (E_RNA)
where:
Base-Base interactions energy: -159.123
where: short stacking energy: -78.849
Base-Backbone interact. energy: 2.825
local terms energy: -101.288998
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -27.841
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -17.774
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: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -279.189927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.189927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.189927 (E_RNA)
where:
Base-Base interactions energy: -164.512
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.303
local terms energy: -114.375140
where:
bonds (distance) C4'-P energy: -26.426
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -20.087
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: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -244.536437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.536437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.536437 (E_RNA)
where:
Base-Base interactions energy: -152.068
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.169
local terms energy: -92.299015
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -11.659
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: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -191.758377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.758377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.758377 (E_RNA)
where:
Base-Base interactions energy: -110.588
where: short stacking energy: -59.783
Base-Backbone interact. energy: -0.282
local terms energy: -80.888208
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -117.249193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.249193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.249193 (E_RNA)
where:
Base-Base interactions energy: -39.766
where: short stacking energy: -31.666
Base-Backbone interact. energy: -0.317
local terms energy: -77.165751
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -389.489851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.489851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.489851 (E_RNA)
where:
Base-Base interactions energy: -258.153
where: short stacking energy: -111.122
Base-Backbone interact. energy: -0.407
local terms energy: -130.929807
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -32.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -317.263934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.263934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.263934 (E_RNA)
where:
Base-Base interactions energy: -201.605
where: short stacking energy: -86.539
Base-Backbone interact. energy: -1.023
local terms energy: -114.636383
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -313.695990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.695990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.695990 (E_RNA)
where:
Base-Base interactions energy: -212.168
where: short stacking energy: -98.101
Base-Backbone interact. energy: -0.295
local terms energy: -101.233708
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -23.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -285.721506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.721506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.721506 (E_RNA)
where:
Base-Base interactions energy: -176.888
where: short stacking energy: -82.779
Base-Backbone interact. energy: -0.155
local terms energy: -108.678132
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -22.090
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -22.866
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: 171
Temperature: 1.100000
Total energy: -297.116994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.116994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.116994 (E_RNA)
where:
Base-Base interactions energy: -194.600
where: short stacking energy: -84.780
Base-Backbone interact. energy: -0.487
local terms energy: -102.030173
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -291.985623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.985623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.985623 (E_RNA)
where:
Base-Base interactions energy: -195.953
where: short stacking energy: -87.521
Base-Backbone interact. energy: -0.573
local terms energy: -95.459311
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -2.545
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -271.182919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.182919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.182919 (E_RNA)
where:
Base-Base interactions energy: -173.021
where: short stacking energy: -78.616
Base-Backbone interact. energy: -0.137
local terms energy: -98.024854
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -26.639
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: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -248.907582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.907582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.907582 (E_RNA)
where:
Base-Base interactions energy: -162.505
where: short stacking energy: -71.409
Base-Backbone interact. energy: 0.607
local terms energy: -87.009333
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -13.096
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: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -195.585694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.585694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.585694 (E_RNA)
where:
Base-Base interactions energy: -121.249
where: short stacking energy: -60.660
Base-Backbone interact. energy: 1.029
local terms energy: -75.365171
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -10.528
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: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -115.660898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.660898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.660898 (E_RNA)
where:
Base-Base interactions energy: -32.533
where: short stacking energy: -31.660
Base-Backbone interact. energy: 2.394
local terms energy: -85.522228
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -13.294
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: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -383.692268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.692268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.692268 (E_RNA)
where:
Base-Base interactions energy: -253.306
where: short stacking energy: -115.276
Base-Backbone interact. energy: -0.298
local terms energy: -130.088317
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: -35.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -320.511178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.511178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.511178 (E_RNA)
where:
Base-Base interactions energy: -212.376
where: short stacking energy: -89.379
Base-Backbone interact. energy: -0.263
local terms energy: -107.871815
where:
bonds (distance) C4'-P energy: -26.238
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -305.548288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.548288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.548288 (E_RNA)
where:
Base-Base interactions energy: -199.896
where: short stacking energy: -89.641
Base-Backbone interact. energy: -0.294
local terms energy: -105.358275
where:
bonds (distance) C4'-P energy: -26.771
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -22.379
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -308.386523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.386523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.386523 (E_RNA)
where:
Base-Base interactions energy: -194.232
where: short stacking energy: -85.528
Base-Backbone interact. energy: -0.078
local terms energy: -114.075943
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -29.613
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: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -300.219063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.219063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.219063 (E_RNA)
where:
Base-Base interactions energy: -189.420
where: short stacking energy: -89.707
Base-Backbone interact. energy: -0.173
local terms energy: -110.626142
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -25.211
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -25.519
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: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -282.343641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.343641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.343641 (E_RNA)
where:
Base-Base interactions energy: -183.701
where: short stacking energy: -87.198
Base-Backbone interact. energy: -0.232
local terms energy: -98.410465
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -265.707564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.707564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.707564 (E_RNA)
where:
Base-Base interactions energy: -173.864
where: short stacking energy: -80.575
Base-Backbone interact. energy: -0.041
local terms energy: -91.803298
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -262.672341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.672341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.672341 (E_RNA)
where:
Base-Base interactions energy: -167.116
where: short stacking energy: -88.418
Base-Backbone interact. energy: -0.784
local terms energy: -94.772063
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -126.535895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.535895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.535895 (E_RNA)
where:
Base-Base interactions energy: -60.801
where: short stacking energy: -53.524
Base-Backbone interact. energy: 0.488
local terms energy: -66.222910
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -6.350
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: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -173.393625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.393625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.393625 (E_RNA)
where:
Base-Base interactions energy: -94.717
where: short stacking energy: -43.939
Base-Backbone interact. energy: -1.095
local terms energy: -77.581992
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -15.299
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: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -382.567586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.567586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.567586 (E_RNA)
where:
Base-Base interactions energy: -246.527
where: short stacking energy: -111.918
Base-Backbone interact. energy: -0.526
local terms energy: -135.514002
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -29.026
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -34.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -314.488757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.488757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.488757 (E_RNA)
where:
Base-Base interactions energy: -198.689
where: short stacking energy: -92.102
Base-Backbone interact. energy: -1.677
local terms energy: -114.122828
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -28.425
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -27.558
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: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -322.552256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.552256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.552256 (E_RNA)
where:
Base-Base interactions energy: -208.130
where: short stacking energy: -96.925
Base-Backbone interact. energy: 0.045
local terms energy: -114.467036
where:
bonds (distance) C4'-P energy: -25.903
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -24.128
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: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -307.574543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.574543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.574543 (E_RNA)
where:
Base-Base interactions energy: -206.330
where: short stacking energy: -98.651
Base-Backbone interact. energy: -1.349
local terms energy: -99.895978
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -24.441
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: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -277.011539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.011539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.011539 (E_RNA)
where:
Base-Base interactions energy: -172.433
where: short stacking energy: -82.564
Base-Backbone interact. energy: -0.193
local terms energy: -104.385070
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -274.091299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.091299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.091299 (E_RNA)
where:
Base-Base interactions energy: -173.828
where: short stacking energy: -79.504
Base-Backbone interact. energy: 0.543
local terms energy: -100.806565
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -251.265213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.265213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.265213 (E_RNA)
where:
Base-Base interactions energy: -164.411
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.254
local terms energy: -86.599972
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -248.117915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.117915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.117915 (E_RNA)
where:
Base-Base interactions energy: -160.910
where: short stacking energy: -74.884
Base-Backbone interact. energy: -0.140
local terms energy: -87.068237
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -11.501
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: 9, replica: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -121.992049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.992049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.992049 (E_RNA)
where:
Base-Base interactions energy: -45.958
where: short stacking energy: -37.512
Base-Backbone interact. energy: -0.437
local terms energy: -75.596439
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -15.078
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: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -105.916778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.916778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.916778 (E_RNA)
where:
Base-Base interactions energy: -41.404
where: short stacking energy: -38.406
Base-Backbone interact. energy: 0.643
local terms energy: -65.156159
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -7.850
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: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -383.200626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.200626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.200626 (E_RNA)
where:
Base-Base interactions energy: -250.555
where: short stacking energy: -121.377
Base-Backbone interact. energy: -0.514
local terms energy: -132.131685
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -25.570
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -36.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -348.166969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.166969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.166969 (E_RNA)
where:
Base-Base interactions energy: -228.860
where: short stacking energy: -98.636
Base-Backbone interact. energy: -0.698
local terms energy: -118.608749
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -31.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -315.102969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.102969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.102969 (E_RNA)
where:
Base-Base interactions energy: -204.721
where: short stacking energy: -98.943
Base-Backbone interact. energy: -0.037
local terms energy: -110.344547
where:
bonds (distance) C4'-P energy: -25.721
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -296.640224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.640224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.640224 (E_RNA)
where:
Base-Base interactions energy: -188.982
where: short stacking energy: -77.493
Base-Backbone interact. energy: -0.229
local terms energy: -107.429100
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -14.062
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: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -290.241704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.241704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.241704 (E_RNA)
where:
Base-Base interactions energy: -186.759
where: short stacking energy: -88.017
Base-Backbone interact. energy: 0.202
local terms energy: -103.685191
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -24.975
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -274.024395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.024395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.024395 (E_RNA)
where:
Base-Base interactions energy: -182.055
where: short stacking energy: -83.584
Base-Backbone interact. energy: 1.150
local terms energy: -93.119495
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -20.327
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: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -252.651466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.651466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.651466 (E_RNA)
where:
Base-Base interactions energy: -155.331
where: short stacking energy: -76.895
Base-Backbone interact. energy: -0.055
local terms energy: -97.266013
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -221.194124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.194124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.194124 (E_RNA)
where:
Base-Base interactions energy: -127.670
where: short stacking energy: -61.559
Base-Backbone interact. energy: -0.472
local terms energy: -93.052855
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -114.421025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.421025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.421025 (E_RNA)
where:
Base-Base interactions energy: -42.690
where: short stacking energy: -37.509
Base-Backbone interact. energy: 0.713
local terms energy: -72.444484
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: 5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -113.854941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.854941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.854941 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -26.913
Base-Backbone interact. energy: -0.415
local terms energy: -82.763676
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -398.717942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.717942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.717942 (E_RNA)
where:
Base-Base interactions energy: -270.755
where: short stacking energy: -112.328
Base-Backbone interact. energy: -0.975
local terms energy: -126.988426
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -26.972
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -33.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -360.813176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.813176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.813176 (E_RNA)
where:
Base-Base interactions energy: -242.944
where: short stacking energy: -100.101
Base-Backbone interact. energy: -1.087
local terms energy: -116.782396
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -26.192
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -28.130
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: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -312.169414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.169414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.169414 (E_RNA)
where:
Base-Base interactions energy: -194.545
where: short stacking energy: -95.925
Base-Backbone interact. energy: -0.005
local terms energy: -117.618668
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -24.394
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -30.087
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: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -297.408113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.408113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.408113 (E_RNA)
where:
Base-Base interactions energy: -186.872
where: short stacking energy: -87.120
Base-Backbone interact. energy: -0.514
local terms energy: -110.022263
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -28.157
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -28.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -275.928553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.928553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.928553 (E_RNA)
where:
Base-Base interactions energy: -189.613
where: short stacking energy: -78.071
Base-Backbone interact. energy: -0.363
local terms energy: -85.952590
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -16.895
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: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -264.004333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.004333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.004333 (E_RNA)
where:
Base-Base interactions energy: -154.825
where: short stacking energy: -66.889
Base-Backbone interact. energy: -1.734
local terms energy: -107.445198
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -26.171
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -14.988
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: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -249.058709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.058709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.058709 (E_RNA)
where:
Base-Base interactions energy: -156.116
where: short stacking energy: -76.964
Base-Backbone interact. energy: -0.144
local terms energy: -92.798337
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -16.175
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: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -247.826643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.826643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.826643 (E_RNA)
where:
Base-Base interactions energy: -145.064
where: short stacking energy: -60.701
Base-Backbone interact. energy: -0.602
local terms energy: -102.160332
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -13.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -116.702889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.702889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.702889 (E_RNA)
where:
Base-Base interactions energy: -48.712
where: short stacking energy: -26.667
Base-Backbone interact. energy: -0.283
local terms energy: -67.708293
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: 1.257
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: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -119.087171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.087171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.087171 (E_RNA)
where:
Base-Base interactions energy: -37.274
where: short stacking energy: -36.500
Base-Backbone interact. energy: 1.182
local terms energy: -82.995022
where:
bonds (distance) C4'-P energy: -25.445
bonds (distance) P-C4' energy: -26.307
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: 0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -372.773841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.773841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.773841 (E_RNA)
where:
Base-Base interactions energy: -253.283
where: short stacking energy: -105.654
Base-Backbone interact. energy: -0.008
local terms energy: -119.483558
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -32.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -365.880482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.880482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.880482 (E_RNA)
where:
Base-Base interactions energy: -247.607
where: short stacking energy: -103.251
Base-Backbone interact. energy: -0.490
local terms energy: -117.782908
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -29.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -321.404309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.404309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.404309 (E_RNA)
where:
Base-Base interactions energy: -209.657
where: short stacking energy: -97.313
Base-Backbone interact. energy: -0.260
local terms energy: -111.486733
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -26.058
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -24.503
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: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -307.094432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.094432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.094432 (E_RNA)
where:
Base-Base interactions energy: -203.424
where: short stacking energy: -96.721
Base-Backbone interact. energy: -0.630
local terms energy: -103.040254
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -290.962312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.962312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.962312 (E_RNA)
where:
Base-Base interactions energy: -173.519
where: short stacking energy: -76.263
Base-Backbone interact. energy: -2.742
local terms energy: -114.701769
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -26.781
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -25.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -272.492701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.492701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.492701 (E_RNA)
where:
Base-Base interactions energy: -167.477
where: short stacking energy: -74.057
Base-Backbone interact. energy: -1.147
local terms energy: -103.868896
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -29.439
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -243.223202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.223202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.223202 (E_RNA)
where:
Base-Base interactions energy: -158.669
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.400
local terms energy: -84.153981
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -8.136
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: 176
Temperature: 1.250000
Total energy: -233.335598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.335598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.335598 (E_RNA)
where:
Base-Base interactions energy: -145.256
where: short stacking energy: -71.706
Base-Backbone interact. energy: -0.934
local terms energy: -87.144849
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -123.355858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.355858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.355858 (E_RNA)
where:
Base-Base interactions energy: -43.878
where: short stacking energy: -43.878
Base-Backbone interact. energy: -0.224
local terms energy: -79.253140
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -8.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -112.488782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.488782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.488782 (E_RNA)
where:
Base-Base interactions energy: -40.376
where: short stacking energy: -25.072
Base-Backbone interact. energy: -0.800
local terms energy: -71.312584
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: 3.686
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: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -377.772801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.772801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.772801 (E_RNA)
where:
Base-Base interactions energy: -262.243
where: short stacking energy: -104.292
Base-Backbone interact. energy: -0.503
local terms energy: -115.027417
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -30.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -368.461762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.461762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.461762 (E_RNA)
where:
Base-Base interactions energy: -247.206
where: short stacking energy: -106.762
Base-Backbone interact. energy: -0.753
local terms energy: -120.502924
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -24.966
flat angles C4'-P-C4' energy: -20.684
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -35.799
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: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -322.320013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.320013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.320013 (E_RNA)
where:
Base-Base interactions energy: -214.971
where: short stacking energy: -83.536
Base-Backbone interact. energy: 0.827
local terms energy: -108.175506
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -283.272197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.272197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.272197 (E_RNA)
where:
Base-Base interactions energy: -193.704
where: short stacking energy: -88.715
Base-Backbone interact. energy: -0.040
local terms energy: -89.528001
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -22.105
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: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -289.033033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.033033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.033033 (E_RNA)
where:
Base-Base interactions energy: -192.025
where: short stacking energy: -87.400
Base-Backbone interact. energy: -0.226
local terms energy: -96.782421
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -15.687
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: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -259.548729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.548729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.548729 (E_RNA)
where:
Base-Base interactions energy: -172.417
where: short stacking energy: -70.152
Base-Backbone interact. energy: -1.038
local terms energy: -86.093112
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -265.182514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.182514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.182514 (E_RNA)
where:
Base-Base interactions energy: -159.641
where: short stacking energy: -69.942
Base-Backbone interact. energy: -0.104
local terms energy: -105.437352
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -249.244362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.244362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.244362 (E_RNA)
where:
Base-Base interactions energy: -152.840
where: short stacking energy: -60.588
Base-Backbone interact. energy: -0.338
local terms energy: -96.066312
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -12.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -118.959092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.959092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.959092 (E_RNA)
where:
Base-Base interactions energy: -41.906
where: short stacking energy: -37.887
Base-Backbone interact. energy: 0.470
local terms energy: -77.523793
where:
bonds (distance) C4'-P energy: -25.396
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -112.720907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.720907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.720907 (E_RNA)
where:
Base-Base interactions energy: -43.427
where: short stacking energy: -33.006
Base-Backbone interact. energy: 0.702
local terms energy: -69.995325
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -383.426398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.426398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.426398 (E_RNA)
where:
Base-Base interactions energy: -257.736
where: short stacking energy: -116.891
Base-Backbone interact. energy: -1.272
local terms energy: -124.418389
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -25.529
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -33.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -381.520388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.520388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.520388 (E_RNA)
where:
Base-Base interactions energy: -255.283
where: short stacking energy: -105.955
Base-Backbone interact. energy: -1.913
local terms energy: -124.324302
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -36.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -326.220703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.220703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.220703 (E_RNA)
where:
Base-Base interactions energy: -213.352
where: short stacking energy: -101.613
Base-Backbone interact. energy: 1.824
local terms energy: -114.692939
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -20.435
tors. eta vs tors. theta energy: -26.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -295.872732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.872732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.872732 (E_RNA)
where:
Base-Base interactions energy: -185.757
where: short stacking energy: -90.683
Base-Backbone interact. energy: 0.000
local terms energy: -110.115637
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -287.569647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.569647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.569647 (E_RNA)
where:
Base-Base interactions energy: -191.490
where: short stacking energy: -80.629
Base-Backbone interact. energy: -0.318
local terms energy: -95.762268
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -299.973840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.973840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.973840 (E_RNA)
where:
Base-Base interactions energy: -182.583
where: short stacking energy: -98.132
Base-Backbone interact. energy: 0.245
local terms energy: -117.635569
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -26.003
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -30.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -272.796755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.796755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.796755 (E_RNA)
where:
Base-Base interactions energy: -180.839
where: short stacking energy: -84.307
Base-Backbone interact. energy: -0.392
local terms energy: -91.565495
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -15.448
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: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -230.761504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.761504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.761504 (E_RNA)
where:
Base-Base interactions energy: -142.760
where: short stacking energy: -51.726
Base-Backbone interact. energy: -0.027
local terms energy: -87.974813
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -9.435
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: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -121.333024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.333024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.333024 (E_RNA)
where:
Base-Base interactions energy: -45.523
where: short stacking energy: -28.997
Base-Backbone interact. energy: -0.185
local terms energy: -75.624879
where:
bonds (distance) C4'-P energy: -26.900
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: 7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -113.482329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.482329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.482329 (E_RNA)
where:
Base-Base interactions energy: -43.983
where: short stacking energy: -24.827
Base-Backbone interact. energy: -0.615
local terms energy: -68.884211
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: 2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -374.461016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.461016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.461016 (E_RNA)
where:
Base-Base interactions energy: -251.190
where: short stacking energy: -110.083
Base-Backbone interact. energy: -0.686
local terms energy: -122.584470
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -26.319
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -33.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -368.309424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.309424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.309424 (E_RNA)
where:
Base-Base interactions energy: -245.125
where: short stacking energy: -109.593
Base-Backbone interact. energy: 2.368
local terms energy: -125.551758
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -25.861
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -32.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -325.516908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.516908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.516908 (E_RNA)
where:
Base-Base interactions energy: -218.617
where: short stacking energy: -89.391
Base-Backbone interact. energy: -0.320
local terms energy: -106.579929
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -305.181414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.181414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.181414 (E_RNA)
where:
Base-Base interactions energy: -186.769
where: short stacking energy: -89.131
Base-Backbone interact. energy: 0.030
local terms energy: -118.442648
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -29.770
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -277.117907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.117907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.117907 (E_RNA)
where:
Base-Base interactions energy: -188.724
where: short stacking energy: -73.019
Base-Backbone interact. energy: -0.214
local terms energy: -88.180419
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -264.404990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.404990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.404990 (E_RNA)
where:
Base-Base interactions energy: -163.825
where: short stacking energy: -83.724
Base-Backbone interact. energy: -0.160
local terms energy: -100.419780
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -26.263
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -23.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -267.267839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.267839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.267839 (E_RNA)
where:
Base-Base interactions energy: -174.818
where: short stacking energy: -84.045
Base-Backbone interact. energy: -0.532
local terms energy: -91.918105
where:
bonds (distance) C4'-P energy: -23.101
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -254.065872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.065872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.065872 (E_RNA)
where:
Base-Base interactions energy: -159.265
where: short stacking energy: -68.982
Base-Backbone interact. energy: -1.605
local terms energy: -93.196017
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -107.245720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.245720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.245720 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -27.345
Base-Backbone interact. energy: -0.225
local terms energy: -69.210643
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -107.844725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.844725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.844725 (E_RNA)
where:
Base-Base interactions energy: -28.029
where: short stacking energy: -22.343
Base-Backbone interact. energy: -0.162
local terms energy: -79.654615
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -27.752
flat angles P-C4'-P energy: -13.917
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: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -371.187338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.187338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.187338 (E_RNA)
where:
Base-Base interactions energy: -252.184
where: short stacking energy: -117.133
Base-Backbone interact. energy: -0.366
local terms energy: -118.637054
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -36.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -377.684850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.684850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.684850 (E_RNA)
where:
Base-Base interactions energy: -262.293
where: short stacking energy: -113.738
Base-Backbone interact. energy: 0.618
local terms energy: -116.010230
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -24.007
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -28.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -311.615292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.615292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.615292 (E_RNA)
where:
Base-Base interactions energy: -197.719
where: short stacking energy: -78.864
Base-Backbone interact. energy: -0.119
local terms energy: -113.777948
where:
bonds (distance) C4'-P energy: -24.380
bonds (distance) P-C4' energy: -27.448
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -305.556223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.556223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.556223 (E_RNA)
where:
Base-Base interactions energy: -189.178
where: short stacking energy: -92.772
Base-Backbone interact. energy: -0.900
local terms energy: -115.477993
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -26.467
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: 180
Temperature: 1.100000
Total energy: -271.712190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.712190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.712190 (E_RNA)
where:
Base-Base interactions energy: -170.351
where: short stacking energy: -83.613
Base-Backbone interact. energy: -0.726
local terms energy: -100.634485
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -28.102
flat angles P-C4'-P energy: -8.210
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: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -287.554900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.554900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.554900 (E_RNA)
where:
Base-Base interactions energy: -184.360
where: short stacking energy: -85.142
Base-Backbone interact. energy: -0.336
local terms energy: -102.858753
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -247.075117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.075117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.075117 (E_RNA)
where:
Base-Base interactions energy: -151.650
where: short stacking energy: -77.520
Base-Backbone interact. energy: -0.902
local terms energy: -94.523551
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -245.366357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.366357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.366357 (E_RNA)
where:
Base-Base interactions energy: -162.681
where: short stacking energy: -80.607
Base-Backbone interact. energy: 0.114
local terms energy: -82.799789
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -18.722
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: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -124.391064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.391064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.391064 (E_RNA)
where:
Base-Base interactions energy: -42.382
where: short stacking energy: -36.381
Base-Backbone interact. energy: -0.168
local terms energy: -81.840895
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -110.646369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.646369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.646369 (E_RNA)
where:
Base-Base interactions energy: -42.070
where: short stacking energy: -39.593
Base-Backbone interact. energy: 0.327
local terms energy: -68.903421
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: 0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -374.820025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.820025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.820025 (E_RNA)
where:
Base-Base interactions energy: -255.289
where: short stacking energy: -97.933
Base-Backbone interact. energy: -0.744
local terms energy: -118.786376
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -28.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -371.503833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.503833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.503833 (E_RNA)
where:
Base-Base interactions energy: -251.083
where: short stacking energy: -106.628
Base-Backbone interact. energy: 0.484
local terms energy: -120.904857
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -31.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -322.006488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.006488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.006488 (E_RNA)
where:
Base-Base interactions energy: -211.814
where: short stacking energy: -93.196
Base-Backbone interact. energy: -0.537
local terms energy: -109.655417
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -26.126
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -297.620965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.620965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.620965 (E_RNA)
where:
Base-Base interactions energy: -185.240
where: short stacking energy: -81.465
Base-Backbone interact. energy: -0.040
local terms energy: -112.340984
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -28.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -285.057286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.057286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.057286 (E_RNA)
where:
Base-Base interactions energy: -187.878
where: short stacking energy: -85.942
Base-Backbone interact. energy: -0.265
local terms energy: -96.914279
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -25.440
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: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -265.586891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.586891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.586891 (E_RNA)
where:
Base-Base interactions energy: -168.539
where: short stacking energy: -88.051
Base-Backbone interact. energy: 1.782
local terms energy: -98.829788
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -276.904977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.904977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.904977 (E_RNA)
where:
Base-Base interactions energy: -177.001
where: short stacking energy: -75.989
Base-Backbone interact. energy: -1.731
local terms energy: -98.172913
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -214.550582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.550582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.550582 (E_RNA)
where:
Base-Base interactions energy: -127.703
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.510
local terms energy: -86.337587
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -14.199
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: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -117.071554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.071554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.071554 (E_RNA)
where:
Base-Base interactions energy: -33.181
where: short stacking energy: -22.908
Base-Backbone interact. energy: -2.327
local terms energy: -81.563692
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -26.673
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -115.077736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.077736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.077736 (E_RNA)
where:
Base-Base interactions energy: -46.892
where: short stacking energy: -36.092
Base-Backbone interact. energy: -0.400
local terms energy: -67.785789
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -369.082374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.082374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.082374 (E_RNA)
where:
Base-Base interactions energy: -243.542
where: short stacking energy: -113.387
Base-Backbone interact. energy: -0.413
local terms energy: -125.126939
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -22.812
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -29.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -362.781289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.781289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.781289 (E_RNA)
where:
Base-Base interactions energy: -234.559
where: short stacking energy: -105.873
Base-Backbone interact. energy: -0.900
local terms energy: -127.322905
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -33.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -320.671406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.671406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.671406 (E_RNA)
where:
Base-Base interactions energy: -218.056
where: short stacking energy: -95.371
Base-Backbone interact. energy: -0.690
local terms energy: -101.925366
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -312.874990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.874990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.874990 (E_RNA)
where:
Base-Base interactions energy: -204.233
where: short stacking energy: -89.224
Base-Backbone interact. energy: -0.170
local terms energy: -108.472425
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -28.695
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: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -281.284538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.284538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.284538 (E_RNA)
where:
Base-Base interactions energy: -177.769
where: short stacking energy: -85.224
Base-Backbone interact. energy: 2.486
local terms energy: -106.001334
where:
bonds (distance) C4'-P energy: -23.238
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -18.982
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: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -271.127971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.127971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.127971 (E_RNA)
where:
Base-Base interactions energy: -163.234
where: short stacking energy: -87.964
Base-Backbone interact. energy: -0.334
local terms energy: -107.560121
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -18.458
tors. eta vs tors. theta energy: -20.837
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: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -258.714617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.714617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.714617 (E_RNA)
where:
Base-Base interactions energy: -178.096
where: short stacking energy: -77.186
Base-Backbone interact. energy: -0.426
local terms energy: -80.192433
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -228.761312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.761312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.761312 (E_RNA)
where:
Base-Base interactions energy: -152.336
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.684
local terms energy: -75.741079
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -125.981583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.981583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.981583 (E_RNA)
where:
Base-Base interactions energy: -49.839
where: short stacking energy: -49.743
Base-Backbone interact. energy: -0.356
local terms energy: -75.785915
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -8.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -107.390982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.390982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.390982 (E_RNA)
where:
Base-Base interactions energy: -39.138
where: short stacking energy: -38.360
Base-Backbone interact. energy: -0.607
local terms energy: -67.645276
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -14.756
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: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -386.079684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.079684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.079684 (E_RNA)
where:
Base-Base interactions energy: -258.434
where: short stacking energy: -110.723
Base-Backbone interact. energy: -0.593
local terms energy: -127.052267
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -26.623
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -31.805
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: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -371.097837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.097837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.097837 (E_RNA)
where:
Base-Base interactions energy: -248.893
where: short stacking energy: -108.603
Base-Backbone interact. energy: -1.932
local terms energy: -120.273810
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -37.123
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: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -306.086286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.086286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.086286 (E_RNA)
where:
Base-Base interactions energy: -201.881
where: short stacking energy: -89.225
Base-Backbone interact. energy: -0.497
local terms energy: -103.708801
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -27.007
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -293.799973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.799973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.799973 (E_RNA)
where:
Base-Base interactions energy: -188.144
where: short stacking energy: -91.351
Base-Backbone interact. energy: -0.059
local terms energy: -105.596831
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -25.879
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -287.774520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.774520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.774520 (E_RNA)
where:
Base-Base interactions energy: -182.164
where: short stacking energy: -85.496
Base-Backbone interact. energy: -0.150
local terms energy: -105.460404
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -20.874
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: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -293.656891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.656891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.656891 (E_RNA)
where:
Base-Base interactions energy: -195.617
where: short stacking energy: -80.211
Base-Backbone interact. energy: -0.306
local terms energy: -97.733389
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -252.104165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.104165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.104165 (E_RNA)
where:
Base-Base interactions energy: -153.513
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.585
local terms energy: -98.005382
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -20.864
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -245.200451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.200451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.200451 (E_RNA)
where:
Base-Base interactions energy: -147.432
where: short stacking energy: -73.661
Base-Backbone interact. energy: -0.478
local terms energy: -97.290888
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -14.128
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: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -112.404704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.404704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.404704 (E_RNA)
where:
Base-Base interactions energy: -39.972
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.257
local terms energy: -72.175291
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: 2.354
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: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -115.364879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.364879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.364879 (E_RNA)
where:
Base-Base interactions energy: -44.139
where: short stacking energy: -40.367
Base-Backbone interact. energy: -0.164
local terms energy: -71.062355
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -5.552
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: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -376.845636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.845636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.845636 (E_RNA)
where:
Base-Base interactions energy: -244.239
where: short stacking energy: -111.843
Base-Backbone interact. energy: -0.918
local terms energy: -131.688937
where:
bonds (distance) C4'-P energy: -27.885
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -28.956
flat angles P-C4'-P energy: -18.177
tors. eta vs tors. theta energy: -34.432
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: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -364.545989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.545989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.545989 (E_RNA)
where:
Base-Base interactions energy: -240.264
where: short stacking energy: -101.482
Base-Backbone interact. energy: -0.787
local terms energy: -123.494741
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -27.501
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -29.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -321.764558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.764558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.764558 (E_RNA)
where:
Base-Base interactions energy: -202.525
where: short stacking energy: -97.414
Base-Backbone interact. energy: -0.032
local terms energy: -119.207452
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -27.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -297.140448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.140448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.140448 (E_RNA)
where:
Base-Base interactions energy: -187.470
where: short stacking energy: -85.449
Base-Backbone interact. energy: -0.093
local terms energy: -109.577473
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -23.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -301.851672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.851672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.851672 (E_RNA)
where:
Base-Base interactions energy: -190.197
where: short stacking energy: -77.180
Base-Backbone interact. energy: 1.125
local terms energy: -112.779575
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -275.057666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.057666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.057666 (E_RNA)
where:
Base-Base interactions energy: -180.032
where: short stacking energy: -79.504
Base-Backbone interact. energy: -0.335
local terms energy: -94.690291
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -22.857
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -238.345226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.345226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.345226 (E_RNA)
where:
Base-Base interactions energy: -139.517
where: short stacking energy: -68.661
Base-Backbone interact. energy: -0.645
local terms energy: -98.183278
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -235.477835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.477835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.477835 (E_RNA)
where:
Base-Base interactions energy: -155.847
where: short stacking energy: -57.726
Base-Backbone interact. energy: -0.572
local terms energy: -79.059213
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -119.590309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.590309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.590309 (E_RNA)
where:
Base-Base interactions energy: -40.330
where: short stacking energy: -39.404
Base-Backbone interact. energy: -0.416
local terms energy: -78.843986
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -120.884145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.884145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.884145 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -40.039
Base-Backbone interact. energy: 0.867
local terms energy: -81.711779
where:
bonds (distance) C4'-P energy: -25.134
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -6.242
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: 185
Temperature: 0.900000
Total energy: -385.517120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.517120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.517120 (E_RNA)
where:
Base-Base interactions energy: -252.092
where: short stacking energy: -119.444
Base-Backbone interact. energy: -0.802
local terms energy: -132.622714
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -28.158
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -36.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -343.126543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.126543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.126543 (E_RNA)
where:
Base-Base interactions energy: -220.724
where: short stacking energy: -103.535
Base-Backbone interact. energy: 0.512
local terms energy: -122.914011
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -35.023
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: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -350.286739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.286739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.286739 (E_RNA)
where:
Base-Base interactions energy: -235.651
where: short stacking energy: -100.205
Base-Backbone interact. energy: -0.746
local terms energy: -113.890020
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -26.874
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -27.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -295.181232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.181232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.181232 (E_RNA)
where:
Base-Base interactions energy: -184.765
where: short stacking energy: -77.369
Base-Backbone interact. energy: 0.615
local terms energy: -111.030725
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -293.509916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.509916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.509916 (E_RNA)
where:
Base-Base interactions energy: -192.998
where: short stacking energy: -80.943
Base-Backbone interact. energy: 0.275
local terms energy: -100.786973
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -276.459042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.459042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.459042 (E_RNA)
where:
Base-Base interactions energy: -182.955
where: short stacking energy: -93.198
Base-Backbone interact. energy: -0.667
local terms energy: -92.836809
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -242.555883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.555883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.555883 (E_RNA)
where:
Base-Base interactions energy: -148.354
where: short stacking energy: -70.616
Base-Backbone interact. energy: -1.164
local terms energy: -93.037169
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -10.180
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: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -131.638272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.638272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.638272 (E_RNA)
where:
Base-Base interactions energy: -50.592
where: short stacking energy: -46.127
Base-Backbone interact. energy: -0.285
local terms energy: -80.760874
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -213.708332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.708332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.708332 (E_RNA)
where:
Base-Base interactions energy: -130.909
where: short stacking energy: -64.243
Base-Backbone interact. energy: -0.326
local terms energy: -82.472800
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -12.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -108.574173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.574173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.574173 (E_RNA)
where:
Base-Base interactions energy: -37.732
where: short stacking energy: -29.828
Base-Backbone interact. energy: -0.411
local terms energy: -70.431930
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: 3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -373.377745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.377745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.377745 (E_RNA)
where:
Base-Base interactions energy: -250.177
where: short stacking energy: -116.206
Base-Backbone interact. energy: -1.817
local terms energy: -121.383692
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -20.991
tors. eta vs tors. theta energy: -33.773
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: 186
Temperature: 0.950000
Total energy: -326.870645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.870645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.870645 (E_RNA)
where:
Base-Base interactions energy: -200.215
where: short stacking energy: -94.812
Base-Backbone interact. energy: -0.069
local terms energy: -126.586529
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -30.413
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: 186
Temperature: 1.000000
Total energy: -352.093644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.093644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.093644 (E_RNA)
where:
Base-Base interactions energy: -233.360
where: short stacking energy: -94.420
Base-Backbone interact. energy: -0.471
local terms energy: -118.262712
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -26.263
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -28.705
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: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -312.681110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.681110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.681110 (E_RNA)
where:
Base-Base interactions energy: -192.003
where: short stacking energy: -92.665
Base-Backbone interact. energy: -0.950
local terms energy: -119.728874
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -28.785
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: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -283.265205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.265205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.265205 (E_RNA)
where:
Base-Base interactions energy: -175.554
where: short stacking energy: -91.814
Base-Backbone interact. energy: -0.450
local terms energy: -107.260662
where:
bonds (distance) C4'-P energy: -21.836
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -270.356375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.356375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.356375 (E_RNA)
where:
Base-Base interactions energy: -177.928
where: short stacking energy: -88.123
Base-Backbone interact. energy: -0.599
local terms energy: -91.829382
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -251.993444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.993444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.993444 (E_RNA)
where:
Base-Base interactions energy: -154.688
where: short stacking energy: -77.406
Base-Backbone interact. energy: -0.131
local terms energy: -97.174597
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -14.005
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: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -137.392270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.392270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.392270 (E_RNA)
where:
Base-Base interactions energy: -48.492
where: short stacking energy: -46.674
Base-Backbone interact. energy: -0.362
local terms energy: -88.538531
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -23.591
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -249.419186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.419186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.419186 (E_RNA)
where:
Base-Base interactions energy: -157.037
where: short stacking energy: -66.101
Base-Backbone interact. energy: -0.681
local terms energy: -91.700698
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -11.536
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: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -112.557565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.557565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.557565 (E_RNA)
where:
Base-Base interactions energy: -44.851
where: short stacking energy: -37.782
Base-Backbone interact. energy: -0.743
local terms energy: -66.963532
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -4.827
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: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -368.648910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.648910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.648910 (E_RNA)
where:
Base-Base interactions energy: -247.381
where: short stacking energy: -118.268
Base-Backbone interact. energy: -1.736
local terms energy: -119.532076
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -34.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -368.171687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.171687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.171687 (E_RNA)
where:
Base-Base interactions energy: -240.214
where: short stacking energy: -106.072
Base-Backbone interact. energy: -0.642
local terms energy: -127.315664
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -26.029
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -33.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -332.722117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.722117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.722117 (E_RNA)
where:
Base-Base interactions energy: -207.659
where: short stacking energy: -96.440
Base-Backbone interact. energy: -0.139
local terms energy: -124.924354
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -25.894
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -32.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -301.552113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.552113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.552113 (E_RNA)
where:
Base-Base interactions energy: -185.159
where: short stacking energy: -91.351
Base-Backbone interact. energy: -0.161
local terms energy: -116.232374
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -27.258
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -25.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -280.855947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.855947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.855947 (E_RNA)
where:
Base-Base interactions energy: -187.617
where: short stacking energy: -94.899
Base-Backbone interact. energy: -1.067
local terms energy: -92.172216
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -269.830902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.830902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.830902 (E_RNA)
where:
Base-Base interactions energy: -165.866
where: short stacking energy: -72.921
Base-Backbone interact. energy: -0.088
local terms energy: -103.876410
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -17.823
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: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -265.592675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.592675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.592675 (E_RNA)
where:
Base-Base interactions energy: -168.957
where: short stacking energy: -80.290
Base-Backbone interact. energy: -0.582
local terms energy: -96.053919
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -247.473376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.473376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.473376 (E_RNA)
where:
Base-Base interactions energy: -155.380
where: short stacking energy: -67.141
Base-Backbone interact. energy: -0.157
local terms energy: -91.935978
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -121.583258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.583258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.583258 (E_RNA)
where:
Base-Base interactions energy: -48.887
where: short stacking energy: -37.020
Base-Backbone interact. energy: -0.651
local terms energy: -72.045303
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -15.820
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: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -114.831769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.831769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.831769 (E_RNA)
where:
Base-Base interactions energy: -48.709
where: short stacking energy: -30.257
Base-Backbone interact. energy: 0.968
local terms energy: -67.090867
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -386.868999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.868999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.868999 (E_RNA)
where:
Base-Base interactions energy: -246.666
where: short stacking energy: -104.247
Base-Backbone interact. energy: -1.036
local terms energy: -139.166955
where:
bonds (distance) C4'-P energy: -30.569
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -36.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -354.322545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.322545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.322545 (E_RNA)
where:
Base-Base interactions energy: -238.489
where: short stacking energy: -105.549
Base-Backbone interact. energy: -0.480
local terms energy: -115.353793
where:
bonds (distance) C4'-P energy: -26.997
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -27.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -318.934169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.934169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.934169 (E_RNA)
where:
Base-Base interactions energy: -200.268
where: short stacking energy: -103.880
Base-Backbone interact. energy: -0.811
local terms energy: -117.855238
where:
bonds (distance) C4'-P energy: -30.391
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -31.038
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: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -300.528500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.528500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.528500 (E_RNA)
where:
Base-Base interactions energy: -190.886
where: short stacking energy: -96.102
Base-Backbone interact. energy: -0.199
local terms energy: -109.443152
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -26.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -279.518080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.518080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.518080 (E_RNA)
where:
Base-Base interactions energy: -172.247
where: short stacking energy: -85.881
Base-Backbone interact. energy: -0.795
local terms energy: -106.476467
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -23.743
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: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -282.770673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.770673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.770673 (E_RNA)
where:
Base-Base interactions energy: -183.876
where: short stacking energy: -77.564
Base-Backbone interact. energy: -0.955
local terms energy: -97.940180
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -15.445
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: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -267.595267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.595267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.595267 (E_RNA)
where:
Base-Base interactions energy: -171.723
where: short stacking energy: -76.003
Base-Backbone interact. energy: -0.151
local terms energy: -95.721616
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -242.230017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.230017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.230017 (E_RNA)
where:
Base-Base interactions energy: -153.300
where: short stacking energy: -71.397
Base-Backbone interact. energy: -0.800
local terms energy: -88.130769
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -114.738615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.738615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.738615 (E_RNA)
where:
Base-Base interactions energy: -35.941
where: short stacking energy: -35.877
Base-Backbone interact. energy: -0.447
local terms energy: -78.350050
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -15.689
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: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -119.617255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.617255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.617255 (E_RNA)
where:
Base-Base interactions energy: -41.264
where: short stacking energy: -20.754
Base-Backbone interact. energy: -0.172
local terms energy: -78.181346
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: 1.057
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: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -380.472027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.472027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.472027 (E_RNA)
where:
Base-Base interactions energy: -246.423
where: short stacking energy: -106.566
Base-Backbone interact. energy: -0.644
local terms energy: -133.405726
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -29.164
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -30.849
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: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -353.928814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.928814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.928814 (E_RNA)
where:
Base-Base interactions energy: -229.776
where: short stacking energy: -110.830
Base-Backbone interact. energy: -1.809
local terms energy: -122.344182
where:
bonds (distance) C4'-P energy: -25.224
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -28.799
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: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -322.802928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.802928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.802928 (E_RNA)
where:
Base-Base interactions energy: -209.864
where: short stacking energy: -86.322
Base-Backbone interact. energy: -0.475
local terms energy: -112.463832
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -27.167
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -21.642
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: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -308.016044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.016044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.016044 (E_RNA)
where:
Base-Base interactions energy: -198.415
where: short stacking energy: -99.866
Base-Backbone interact. energy: 2.290
local terms energy: -111.890295
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -32.398
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: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -290.468130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.468130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.468130 (E_RNA)
where:
Base-Base interactions energy: -180.925
where: short stacking energy: -82.567
Base-Backbone interact. energy: -0.165
local terms energy: -109.377490
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -284.021030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.021030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.021030 (E_RNA)
where:
Base-Base interactions energy: -194.722
where: short stacking energy: -71.157
Base-Backbone interact. energy: -0.475
local terms energy: -88.823278
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -275.962504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.962504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.962504 (E_RNA)
where:
Base-Base interactions energy: -174.494
where: short stacking energy: -82.327
Base-Backbone interact. energy: -0.019
local terms energy: -101.449460
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -244.652332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.652332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.652332 (E_RNA)
where:
Base-Base interactions energy: -142.312
where: short stacking energy: -69.242
Base-Backbone interact. energy: -0.554
local terms energy: -101.785604
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -121.132140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.132140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.132140 (E_RNA)
where:
Base-Base interactions energy: -38.824
where: short stacking energy: -33.409
Base-Backbone interact. energy: -0.305
local terms energy: -82.003280
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: 1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -116.614245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.614245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.614245 (E_RNA)
where:
Base-Base interactions energy: -48.423
where: short stacking energy: -32.319
Base-Backbone interact. energy: 0.154
local terms energy: -68.344643
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -3.060
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -376.259776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.259776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.259776 (E_RNA)
where:
Base-Base interactions energy: -254.832
where: short stacking energy: -112.984
Base-Backbone interact. energy: 1.372
local terms energy: -122.798954
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -30.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -339.216392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.216392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.216392 (E_RNA)
where:
Base-Base interactions energy: -221.459
where: short stacking energy: -84.522
Base-Backbone interact. energy: -1.061
local terms energy: -116.696283
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -26.070
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -25.940
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: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -317.528217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.528217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.528217 (E_RNA)
where:
Base-Base interactions energy: -208.487
where: short stacking energy: -82.563
Base-Backbone interact. energy: 1.052
local terms energy: -110.092599
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -27.013
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -18.438
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: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -322.149902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.149902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.149902 (E_RNA)
where:
Base-Base interactions energy: -199.566
where: short stacking energy: -102.749
Base-Backbone interact. energy: -1.087
local terms energy: -121.496549
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -28.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -287.243267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.243267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.243267 (E_RNA)
where:
Base-Base interactions energy: -188.447
where: short stacking energy: -87.374
Base-Backbone interact. energy: -0.390
local terms energy: -98.406841
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -12.124
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: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -273.387310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.387310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.387310 (E_RNA)
where:
Base-Base interactions energy: -165.665
where: short stacking energy: -71.635
Base-Backbone interact. energy: -0.314
local terms energy: -107.408753
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -18.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -242.897574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.897574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.897574 (E_RNA)
where:
Base-Base interactions energy: -147.255
where: short stacking energy: -63.005
Base-Backbone interact. energy: -0.135
local terms energy: -95.507045
where:
bonds (distance) C4'-P energy: -26.206
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -262.470119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.470119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.470119 (E_RNA)
where:
Base-Base interactions energy: -169.126
where: short stacking energy: -79.446
Base-Backbone interact. energy: 1.244
local terms energy: -94.588407
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -8.341
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: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -138.077295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.077295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.077295 (E_RNA)
where:
Base-Base interactions energy: -62.145
where: short stacking energy: -51.649
Base-Backbone interact. energy: -0.825
local terms energy: -75.107822
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -106.735354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.735354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.735354 (E_RNA)
where:
Base-Base interactions energy: -42.601
where: short stacking energy: -42.601
Base-Backbone interact. energy: -0.873
local terms energy: -63.261192
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -380.699760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.699760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.699760 (E_RNA)
where:
Base-Base interactions energy: -257.742
where: short stacking energy: -117.562
Base-Backbone interact. energy: -0.172
local terms energy: -122.785928
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -35.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -334.881245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.881245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.881245 (E_RNA)
where:
Base-Base interactions energy: -219.276
where: short stacking energy: -95.174
Base-Backbone interact. energy: -1.279
local terms energy: -114.325912
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -28.726
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: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -327.893857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.893857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.893857 (E_RNA)
where:
Base-Base interactions energy: -201.729
where: short stacking energy: -100.828
Base-Backbone interact. energy: -0.694
local terms energy: -125.470957
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -26.907
flat angles C4'-P-C4' energy: -27.467
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -30.511
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: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -297.724053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.724053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.724053 (E_RNA)
where:
Base-Base interactions energy: -203.384
where: short stacking energy: -72.941
Base-Backbone interact. energy: 2.802
local terms energy: -97.141897
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -13.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -284.610512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.610512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.610512 (E_RNA)
where:
Base-Base interactions energy: -173.762
where: short stacking energy: -81.757
Base-Backbone interact. energy: -0.031
local terms energy: -110.817726
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -27.704
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: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -248.053122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.053122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.053122 (E_RNA)
where:
Base-Base interactions energy: -163.978
where: short stacking energy: -75.761
Base-Backbone interact. energy: -0.157
local terms energy: -83.918023
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -18.034
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: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -270.900003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.900003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.900003 (E_RNA)
where:
Base-Base interactions energy: -174.837
where: short stacking energy: -88.599
Base-Backbone interact. energy: -0.862
local terms energy: -95.201364
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -250.136439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.136439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.136439 (E_RNA)
where:
Base-Base interactions energy: -168.121
where: short stacking energy: -74.736
Base-Backbone interact. energy: -0.382
local terms energy: -81.633107
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -13.718
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: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -139.573937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.573937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.573937 (E_RNA)
where:
Base-Base interactions energy: -67.998
where: short stacking energy: -46.195
Base-Backbone interact. energy: -0.868
local terms energy: -70.708219
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -108.711853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.711853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.711853 (E_RNA)
where:
Base-Base interactions energy: -42.313
where: short stacking energy: -41.446
Base-Backbone interact. energy: 0.632
local terms energy: -67.030414
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -7.741
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: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -352.314490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.314490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.314490 (E_RNA)
where:
Base-Base interactions energy: -234.880
where: short stacking energy: -101.895
Base-Backbone interact. energy: -0.923
local terms energy: -116.511344
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -25.796
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -21.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -378.438965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.438965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.438965 (E_RNA)
where:
Base-Base interactions energy: -254.895
where: short stacking energy: -107.354
Base-Backbone interact. energy: -0.806
local terms energy: -122.737845
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -28.294
flat angles C4'-P-C4' energy: -29.113
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -31.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -328.628017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.628017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.628017 (E_RNA)
where:
Base-Base interactions energy: -216.275
where: short stacking energy: -91.889
Base-Backbone interact. energy: -1.406
local terms energy: -110.946196
where:
bonds (distance) C4'-P energy: -25.564
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -24.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -322.491684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.491684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.491684 (E_RNA)
where:
Base-Base interactions energy: -204.552
where: short stacking energy: -98.548
Base-Backbone interact. energy: 0.653
local terms energy: -118.592307
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -27.966
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -31.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -277.111311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.111311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.111311 (E_RNA)
where:
Base-Base interactions energy: -170.735
where: short stacking energy: -84.511
Base-Backbone interact. energy: 0.304
local terms energy: -106.679944
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -255.437816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.437816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.437816 (E_RNA)
where:
Base-Base interactions energy: -164.848
where: short stacking energy: -68.363
Base-Backbone interact. energy: 1.355
local terms energy: -91.944600
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -259.566219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.566219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.566219 (E_RNA)
where:
Base-Base interactions energy: -166.660
where: short stacking energy: -66.664
Base-Backbone interact. energy: -0.192
local terms energy: -92.714707
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -14.118
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: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -258.233022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.233022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.233022 (E_RNA)
where:
Base-Base interactions energy: -162.323
where: short stacking energy: -71.018
Base-Backbone interact. energy: -0.066
local terms energy: -95.844376
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -114.604682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.604682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.604682 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -28.606
Base-Backbone interact. energy: -0.384
local terms energy: -78.244547
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -25.457
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -14.151
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: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -161.669774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.669774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.669774 (E_RNA)
where:
Base-Base interactions energy: -89.092
where: short stacking energy: -36.784
Base-Backbone interact. energy: 0.054
local terms energy: -72.631340
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: 3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -356.698012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.698012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.698012 (E_RNA)
where:
Base-Base interactions energy: -241.025
where: short stacking energy: -92.015
Base-Backbone interact. energy: -1.833
local terms energy: -113.839643
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -28.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -375.321176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.321176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.321176 (E_RNA)
where:
Base-Base interactions energy: -263.386
where: short stacking energy: -112.356
Base-Backbone interact. energy: -0.914
local terms energy: -111.020431
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -21.295
flat angles C4'-P-C4' energy: -26.397
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -31.953
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: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -308.853525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.853525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.853525 (E_RNA)
where:
Base-Base interactions energy: -210.811
where: short stacking energy: -89.872
Base-Backbone interact. energy: -0.095
local terms energy: -97.946824
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -17.448
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: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -311.132626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.132626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.132626 (E_RNA)
where:
Base-Base interactions energy: -198.661
where: short stacking energy: -93.882
Base-Backbone interact. energy: -0.761
local terms energy: -111.710276
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -26.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -284.069361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.069361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.069361 (E_RNA)
where:
Base-Base interactions energy: -173.235
where: short stacking energy: -79.498
Base-Backbone interact. energy: 0.002
local terms energy: -110.836417
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -23.567
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: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -267.995371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.995371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.995371 (E_RNA)
where:
Base-Base interactions energy: -161.994
where: short stacking energy: -76.649
Base-Backbone interact. energy: -1.217
local terms energy: -104.784896
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -264.014327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.014327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.014327 (E_RNA)
where:
Base-Base interactions energy: -149.365
where: short stacking energy: -77.965
Base-Backbone interact. energy: -0.398
local terms energy: -114.251043
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -25.905
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: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -259.943586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.943586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.943586 (E_RNA)
where:
Base-Base interactions energy: -168.595
where: short stacking energy: -68.353
Base-Backbone interact. energy: -0.174
local terms energy: -91.174069
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -123.690120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.690120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.690120 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -23.704
Base-Backbone interact. energy: -0.448
local terms energy: -87.425803
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -27.319
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -121.760300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.760300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.760300 (E_RNA)
where:
Base-Base interactions energy: -55.701
where: short stacking energy: -24.261
Base-Backbone interact. energy: -0.299
local terms energy: -65.759434
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -0.192
tors. eta vs tors. theta energy: 2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -368.445958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.445958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.445958 (E_RNA)
where:
Base-Base interactions energy: -251.685
where: short stacking energy: -103.846
Base-Backbone interact. energy: -0.013
local terms energy: -116.747843
where:
bonds (distance) C4'-P energy: -24.921
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -26.992
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: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -374.754460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.754460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.754460 (E_RNA)
where:
Base-Base interactions energy: -251.121
where: short stacking energy: -104.893
Base-Backbone interact. energy: 0.840
local terms energy: -124.473251
where:
bonds (distance) C4'-P energy: -25.849
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -29.768
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -326.164204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.164204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.164204 (E_RNA)
where:
Base-Base interactions energy: -203.333
where: short stacking energy: -104.867
Base-Backbone interact. energy: -0.097
local terms energy: -122.734563
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -33.523
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: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -300.731723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.731723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.731723 (E_RNA)
where:
Base-Base interactions energy: -200.372
where: short stacking energy: -89.006
Base-Backbone interact. energy: -1.039
local terms energy: -99.321460
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -16.130
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: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -283.370238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.370238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.370238 (E_RNA)
where:
Base-Base interactions energy: -177.420
where: short stacking energy: -79.252
Base-Backbone interact. energy: -0.216
local terms energy: -105.734192
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -25.743
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -263.998304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.998304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.998304 (E_RNA)
where:
Base-Base interactions energy: -153.800
where: short stacking energy: -78.748
Base-Backbone interact. energy: -0.327
local terms energy: -109.871757
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -282.894672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.894672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.894672 (E_RNA)
where:
Base-Base interactions energy: -176.717
where: short stacking energy: -79.259
Base-Backbone interact. energy: -0.321
local terms energy: -105.857074
where:
bonds (distance) C4'-P energy: -29.368
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -244.911921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.911921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.911921 (E_RNA)
where:
Base-Base interactions energy: -153.116
where: short stacking energy: -67.001
Base-Backbone interact. energy: 0.386
local terms energy: -92.181926
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -125.394446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.394446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.394446 (E_RNA)
where:
Base-Base interactions energy: -48.825
where: short stacking energy: -47.662
Base-Backbone interact. energy: -0.598
local terms energy: -75.971216
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -110.917365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.917365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.917365 (E_RNA)
where:
Base-Base interactions energy: -34.663
where: short stacking energy: -34.011
Base-Backbone interact. energy: -0.337
local terms energy: -75.917400
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -364.911360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.911360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.911360 (E_RNA)
where:
Base-Base interactions energy: -238.259
where: short stacking energy: -108.114
Base-Backbone interact. energy: 0.411
local terms energy: -127.062990
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -27.685
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -29.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -376.878068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.878068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.878068 (E_RNA)
where:
Base-Base interactions energy: -247.127
where: short stacking energy: -111.504
Base-Backbone interact. energy: -1.960
local terms energy: -127.790995
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -24.563
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -31.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -312.207584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.207584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.207584 (E_RNA)
where:
Base-Base interactions energy: -186.675
where: short stacking energy: -87.606
Base-Backbone interact. energy: 0.241
local terms energy: -125.773184
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -25.311
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: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -329.646581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.646581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.646581 (E_RNA)
where:
Base-Base interactions energy: -226.260
where: short stacking energy: -96.269
Base-Backbone interact. energy: 0.162
local terms energy: -103.549003
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -13.019
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: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -262.035786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.035786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.035786 (E_RNA)
where:
Base-Base interactions energy: -161.756
where: short stacking energy: -69.237
Base-Backbone interact. energy: -0.315
local terms energy: -99.964093
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -290.005533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.005533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.005533 (E_RNA)
where:
Base-Base interactions energy: -185.223
where: short stacking energy: -84.931
Base-Backbone interact. energy: -0.816
local terms energy: -103.965991
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -26.582
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -301.759149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.759149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.759149 (E_RNA)
where:
Base-Base interactions energy: -206.471
where: short stacking energy: -84.597
Base-Backbone interact. energy: -1.111
local terms energy: -94.176955
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -207.641929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.641929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.641929 (E_RNA)
where:
Base-Base interactions energy: -120.206
where: short stacking energy: -59.954
Base-Backbone interact. energy: -0.116
local terms energy: -87.320724
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -12.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -111.895338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.895338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.895338 (E_RNA)
where:
Base-Base interactions energy: -38.304
where: short stacking energy: -24.453
Base-Backbone interact. energy: -0.169
local terms energy: -73.422180
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -0.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -103.934433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.934433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.934433 (E_RNA)
where:
Base-Base interactions energy: -34.924
where: short stacking energy: -32.445
Base-Backbone interact. energy: 0.217
local terms energy: -69.227750
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: 5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -383.219688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.219688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.219688 (E_RNA)
where:
Base-Base interactions energy: -261.090
where: short stacking energy: -120.814
Base-Backbone interact. energy: -0.364
local terms energy: -121.765516
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -28.145
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -31.432
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: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -352.480612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.480612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.480612 (E_RNA)
where:
Base-Base interactions energy: -231.023
where: short stacking energy: -105.291
Base-Backbone interact. energy: -0.928
local terms energy: -120.529557
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -30.651
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -344.220169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.220169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.220169 (E_RNA)
where:
Base-Base interactions energy: -237.107
where: short stacking energy: -95.051
Base-Backbone interact. energy: -1.877
local terms energy: -105.235936
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -27.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -293.312925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.312925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.312925 (E_RNA)
where:
Base-Base interactions energy: -189.537
where: short stacking energy: -85.123
Base-Backbone interact. energy: -0.426
local terms energy: -103.349253
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -18.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -268.902535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.902535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.902535 (E_RNA)
where:
Base-Base interactions energy: -165.125
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.125
local terms energy: -103.651753
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -26.822
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -273.915334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.915334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.915334 (E_RNA)
where:
Base-Base interactions energy: -175.248
where: short stacking energy: -74.996
Base-Backbone interact. energy: -0.084
local terms energy: -98.583168
where:
bonds (distance) C4'-P energy: -26.670
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -255.681621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.681621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.681621 (E_RNA)
where:
Base-Base interactions energy: -172.535
where: short stacking energy: -68.996
Base-Backbone interact. energy: -0.362
local terms energy: -82.784236
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -201.432282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.432282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.432282 (E_RNA)
where:
Base-Base interactions energy: -125.512
where: short stacking energy: -60.987
Base-Backbone interact. energy: -0.204
local terms energy: -75.717009
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -121.864090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.864090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.864090 (E_RNA)
where:
Base-Base interactions energy: -35.845
where: short stacking energy: -23.656
Base-Backbone interact. energy: -0.503
local terms energy: -85.516993
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -26.371
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -103.824495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.824495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.824495 (E_RNA)
where:
Base-Base interactions energy: -33.095
where: short stacking energy: -21.086
Base-Backbone interact. energy: -1.092
local terms energy: -69.636883
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: 2.283
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: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -393.101174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.101174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.101174 (E_RNA)
where:
Base-Base interactions energy: -255.989
where: short stacking energy: -107.064
Base-Backbone interact. energy: 0.058
local terms energy: -137.169868
where:
bonds (distance) C4'-P energy: -29.060
bonds (distance) P-C4' energy: -26.591
flat angles C4'-P-C4' energy: -29.382
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -33.627
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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -360.521698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.521698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.521698 (E_RNA)
where:
Base-Base interactions energy: -241.093
where: short stacking energy: -102.137
Base-Backbone interact. energy: -0.120
local terms energy: -119.309279
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -26.237
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: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -317.045212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.045212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.045212 (E_RNA)
where:
Base-Base interactions energy: -222.209
where: short stacking energy: -81.954
Base-Backbone interact. energy: -1.516
local terms energy: -93.319877
where:
bonds (distance) C4'-P energy: -23.955
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -305.840816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.840816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.840816 (E_RNA)
where:
Base-Base interactions energy: -192.989
where: short stacking energy: -86.015
Base-Backbone interact. energy: -1.453
local terms energy: -111.398272
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -279.335051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.335051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.335051 (E_RNA)
where:
Base-Base interactions energy: -164.355
where: short stacking energy: -80.167
Base-Backbone interact. energy: -0.035
local terms energy: -114.945594
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -28.158
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -27.043
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: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -283.689364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.689364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.689364 (E_RNA)
where:
Base-Base interactions energy: -178.044
where: short stacking energy: -79.542
Base-Backbone interact. energy: -0.208
local terms energy: -105.437705
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -262.963154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.963154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.963154 (E_RNA)
where:
Base-Base interactions energy: -159.721
where: short stacking energy: -65.665
Base-Backbone interact. energy: -1.923
local terms energy: -101.318967
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -224.422169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.422169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.422169 (E_RNA)
where:
Base-Base interactions energy: -142.162
where: short stacking energy: -62.075
Base-Backbone interact. energy: -0.101
local terms energy: -82.158266
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -25.877
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -11.606
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: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -130.816316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.816316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.816316 (E_RNA)
where:
Base-Base interactions energy: -47.193
where: short stacking energy: -34.410
Base-Backbone interact. energy: 2.399
local terms energy: -86.022349
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -4.560
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: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -111.413942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.413942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.413942 (E_RNA)
where:
Base-Base interactions energy: -40.010
where: short stacking energy: -39.516
Base-Backbone interact. energy: 0.596
local terms energy: -72.000722
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: -1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -387.624130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.624130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.624130 (E_RNA)
where:
Base-Base interactions energy: -264.699
where: short stacking energy: -108.750
Base-Backbone interact. energy: -0.196
local terms energy: -122.728970
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: -33.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -355.200432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.200432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.200432 (E_RNA)
where:
Base-Base interactions energy: -241.548
where: short stacking energy: -100.852
Base-Backbone interact. energy: -0.421
local terms energy: -113.232211
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -19.141
tors. eta vs tors. theta energy: -28.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -318.909798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.909798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.909798 (E_RNA)
where:
Base-Base interactions energy: -196.296
where: short stacking energy: -87.557
Base-Backbone interact. energy: -0.790
local terms energy: -121.823505
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -342.864611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.864611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.864611 (E_RNA)
where:
Base-Base interactions energy: -239.248
where: short stacking energy: -80.664
Base-Backbone interact. energy: -1.333
local terms energy: -102.283780
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -317.483107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.483107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.483107 (E_RNA)
where:
Base-Base interactions energy: -196.358
where: short stacking energy: -92.116
Base-Backbone interact. energy: -0.158
local terms energy: -120.966484
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -25.895
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -25.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -250.415854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.415854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.415854 (E_RNA)
where:
Base-Base interactions energy: -157.732
where: short stacking energy: -73.121
Base-Backbone interact. energy: 1.958
local terms energy: -94.642541
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -27.070
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -225.633540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.633540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.633540 (E_RNA)
where:
Base-Base interactions energy: -130.533
where: short stacking energy: -54.262
Base-Backbone interact. energy: 1.355
local terms energy: -96.454949
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -15.173
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: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -255.048250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.048250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.048250 (E_RNA)
where:
Base-Base interactions energy: -153.217
where: short stacking energy: -72.178
Base-Backbone interact. energy: -0.289
local terms energy: -101.541484
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -25.668
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -15.783
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: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -115.701497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.701497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.701497 (E_RNA)
where:
Base-Base interactions energy: -45.583
where: short stacking energy: -39.629
Base-Backbone interact. energy: 2.237
local terms energy: -72.356196
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: 1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -119.194830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.194830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.194830 (E_RNA)
where:
Base-Base interactions energy: -32.612
where: short stacking energy: -31.557
Base-Backbone interact. energy: -0.353
local terms energy: -86.229929
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -9.055
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: 199
Temperature: 0.900000
Total energy: -384.926412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.926412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.926412 (E_RNA)
where:
Base-Base interactions energy: -259.261
where: short stacking energy: -107.970
Base-Backbone interact. energy: -1.456
local terms energy: -124.209383
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -33.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -358.998050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.998050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.998050 (E_RNA)
where:
Base-Base interactions energy: -235.285
where: short stacking energy: -104.001
Base-Backbone interact. energy: -0.091
local terms energy: -123.622427
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -20.492
tors. eta vs tors. theta energy: -26.739
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: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -320.420473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.420473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.420473 (E_RNA)
where:
Base-Base interactions energy: -204.502
where: short stacking energy: -99.183
Base-Backbone interact. energy: 0.975
local terms energy: -116.893699
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -27.594
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -24.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -319.693527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.693527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.693527 (E_RNA)
where:
Base-Base interactions energy: -207.910
where: short stacking energy: -88.107
Base-Backbone interact. energy: -1.987
local terms energy: -109.796093
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -303.133355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.133355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.133355 (E_RNA)
where:
Base-Base interactions energy: -191.776
where: short stacking energy: -90.842
Base-Backbone interact. energy: -0.058
local terms energy: -111.299648
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -28.481
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -28.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -237.043171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.043171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.043171 (E_RNA)
where:
Base-Base interactions energy: -144.606
where: short stacking energy: -64.608
Base-Backbone interact. energy: 0.869
local terms energy: -93.306161
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -12.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -262.673528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.673528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.673528 (E_RNA)
where:
Base-Base interactions energy: -160.564
where: short stacking energy: -78.858
Base-Backbone interact. energy: -0.096
local terms energy: -102.012843
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -249.091804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.091804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.091804 (E_RNA)
where:
Base-Base interactions energy: -153.987
where: short stacking energy: -76.040
Base-Backbone interact. energy: -0.576
local terms energy: -94.528873
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -120.699103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.699103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.699103 (E_RNA)
where:
Base-Base interactions energy: -41.100
where: short stacking energy: -34.197
Base-Backbone interact. energy: 0.218
local terms energy: -79.817104
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: 1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -121.762619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.762619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.762619 (E_RNA)
where:
Base-Base interactions energy: -52.925
where: short stacking energy: -38.784
Base-Backbone interact. energy: 1.985
local terms energy: -70.822355
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: 1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -380.568540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.568540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.568540 (E_RNA)
where:
Base-Base interactions energy: -258.871
where: short stacking energy: -110.904
Base-Backbone interact. energy: -0.699
local terms energy: -120.998337
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -25.299
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -33.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -356.914650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.914650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.914650 (E_RNA)
where:
Base-Base interactions energy: -235.147
where: short stacking energy: -103.050
Base-Backbone interact. energy: 0.160
local terms energy: -121.927096
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -24.909
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: 200
Temperature: 1.000000
Total energy: -310.206618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.206618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.206618 (E_RNA)
where:
Base-Base interactions energy: -199.285
where: short stacking energy: -78.631
Base-Backbone interact. energy: 0.644
local terms energy: -111.565180
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -26.299
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -22.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -304.616442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.616442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.616442 (E_RNA)
where:
Base-Base interactions energy: -195.392
where: short stacking energy: -93.341
Base-Backbone interact. energy: -0.292
local terms energy: -108.932939
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -24.524
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -285.998316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.998316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.998316 (E_RNA)
where:
Base-Base interactions energy: -184.651
where: short stacking energy: -86.139
Base-Backbone interact. energy: -0.245
local terms energy: -101.102469
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -268.929829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.929829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.929829 (E_RNA)
where:
Base-Base interactions energy: -177.973
where: short stacking energy: -80.484
Base-Backbone interact. energy: -0.532
local terms energy: -90.425377
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -15.740
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: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -251.834858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.834858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.834858 (E_RNA)
where:
Base-Base interactions energy: -152.913
where: short stacking energy: -69.205
Base-Backbone interact. energy: -0.529
local terms energy: -98.392725
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -24.820
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -18.925
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: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -253.149285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.149285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.149285 (E_RNA)
where:
Base-Base interactions energy: -155.900
where: short stacking energy: -69.269
Base-Backbone interact. energy: -0.252
local terms energy: -96.997898
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -109.499856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.499856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.499856 (E_RNA)
where:
Base-Base interactions energy: -48.391
where: short stacking energy: -39.908
Base-Backbone interact. energy: 3.215
local terms energy: -64.323576
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -15.918
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: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -115.194675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.194675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.194675 (E_RNA)
where:
Base-Base interactions energy: -48.276
where: short stacking energy: -26.288
Base-Backbone interact. energy: -0.419
local terms energy: -66.499945
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -396.507151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.507151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.507151 (E_RNA)
where:
Base-Base interactions energy: -264.184
where: short stacking energy: -111.452
Base-Backbone interact. energy: -0.672
local terms energy: -131.650350
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -27.378
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -21.471
tors. eta vs tors. theta energy: -33.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -352.555297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.555297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.555297 (E_RNA)
where:
Base-Base interactions energy: -234.242
where: short stacking energy: -94.185
Base-Backbone interact. energy: -0.860
local terms energy: -117.452939
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -327.556804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.556804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.556804 (E_RNA)
where:
Base-Base interactions energy: -210.040
where: short stacking energy: -100.500
Base-Backbone interact. energy: -0.687
local terms energy: -116.829376
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -26.884
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -25.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -302.241808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.241808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.241808 (E_RNA)
where:
Base-Base interactions energy: -202.194
where: short stacking energy: -87.016
Base-Backbone interact. energy: -0.078
local terms energy: -99.969786
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -10.122
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: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -290.023754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.023754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.023754 (E_RNA)
where:
Base-Base interactions energy: -185.914
where: short stacking energy: -85.504
Base-Backbone interact. energy: -0.090
local terms energy: -104.020442
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -295.954607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.954607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.954607 (E_RNA)
where:
Base-Base interactions energy: -193.214
where: short stacking energy: -94.258
Base-Backbone interact. energy: 0.078
local terms energy: -102.819096
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -23.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -249.607922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.607922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.607922 (E_RNA)
where:
Base-Base interactions energy: -163.976
where: short stacking energy: -71.325
Base-Backbone interact. energy: -0.622
local terms energy: -85.010277
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -240.182438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.182438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.182438 (E_RNA)
where:
Base-Base interactions energy: -148.629
where: short stacking energy: -67.077
Base-Backbone interact. energy: -0.636
local terms energy: -90.917246
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -112.778197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.778197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.778197 (E_RNA)
where:
Base-Base interactions energy: -41.154
where: short stacking energy: -36.941
Base-Backbone interact. energy: 0.044
local terms energy: -71.667650
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -115.445925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.445925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.445925 (E_RNA)
where:
Base-Base interactions energy: -49.876
where: short stacking energy: -29.851
Base-Backbone interact. energy: 0.248
local terms energy: -65.818730
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: 1.333
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: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -367.959702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.959702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.959702 (E_RNA)
where:
Base-Base interactions energy: -249.009
where: short stacking energy: -94.978
Base-Backbone interact. energy: -0.763
local terms energy: -118.187642
where:
bonds (distance) C4'-P energy: -27.241
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -22.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -374.014313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.014313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.014313 (E_RNA)
where:
Base-Base interactions energy: -251.471
where: short stacking energy: -109.475
Base-Backbone interact. energy: -0.764
local terms energy: -121.779288
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -27.332
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -33.056
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: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -313.109809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.109809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.109809 (E_RNA)
where:
Base-Base interactions energy: -209.881
where: short stacking energy: -86.348
Base-Backbone interact. energy: -0.166
local terms energy: -103.063649
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -320.102039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.102039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.102039 (E_RNA)
where:
Base-Base interactions energy: -219.386
where: short stacking energy: -100.238
Base-Backbone interact. energy: -0.756
local terms energy: -99.960088
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -13.065
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: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -288.361690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.361690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.361690 (E_RNA)
where:
Base-Base interactions energy: -180.709
where: short stacking energy: -87.077
Base-Backbone interact. energy: -0.057
local terms energy: -107.595577
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -24.050
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: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -263.856345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.856345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.856345 (E_RNA)
where:
Base-Base interactions energy: -162.250
where: short stacking energy: -64.821
Base-Backbone interact. energy: -0.363
local terms energy: -101.243882
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -266.253152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.253152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.253152 (E_RNA)
where:
Base-Base interactions energy: -165.966
where: short stacking energy: -73.737
Base-Backbone interact. energy: -0.425
local terms energy: -99.862629
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -18.163
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: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -240.966097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.966097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.966097 (E_RNA)
where:
Base-Base interactions energy: -151.937
where: short stacking energy: -72.489
Base-Backbone interact. energy: -0.516
local terms energy: -88.513102
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -15.244
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: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -117.281639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.281639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.281639 (E_RNA)
where:
Base-Base interactions energy: -38.226
where: short stacking energy: -31.394
Base-Backbone interact. energy: -0.603
local terms energy: -78.452506
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: 3.796
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: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -113.226892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.226892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.226892 (E_RNA)
where:
Base-Base interactions energy: -34.350
where: short stacking energy: -17.588
Base-Backbone interact. energy: 0.763
local terms energy: -79.639811
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: 2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -359.404362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.404362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.404362 (E_RNA)
where:
Base-Base interactions energy: -237.040
where: short stacking energy: -90.321
Base-Backbone interact. energy: 2.896
local terms energy: -125.259836
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -333.554086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.554086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.554086 (E_RNA)
where:
Base-Base interactions energy: -210.370
where: short stacking energy: -101.834
Base-Backbone interact. energy: -0.103
local terms energy: -123.081147
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -25.566
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -27.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -364.724495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.724495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.724495 (E_RNA)
where:
Base-Base interactions energy: -249.213
where: short stacking energy: -111.356
Base-Backbone interact. energy: -0.403
local terms energy: -115.108411
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -33.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -281.826670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.826670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.826670 (E_RNA)
where:
Base-Base interactions energy: -182.365
where: short stacking energy: -68.481
Base-Backbone interact. energy: -0.196
local terms energy: -99.265608
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -14.835
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: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -325.498178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.498178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.498178 (E_RNA)
where:
Base-Base interactions energy: -212.572
where: short stacking energy: -103.324
Base-Backbone interact. energy: -0.369
local terms energy: -112.556693
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -29.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -258.760434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.760434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.760434 (E_RNA)
where:
Base-Base interactions energy: -160.113
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.153
local terms energy: -98.494859
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -252.353957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.353957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.353957 (E_RNA)
where:
Base-Base interactions energy: -169.173
where: short stacking energy: -67.933
Base-Backbone interact. energy: 0.164
local terms energy: -83.345750
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -12.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -250.035475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.035475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.035475 (E_RNA)
where:
Base-Base interactions energy: -156.574
where: short stacking energy: -71.355
Base-Backbone interact. energy: -1.149
local terms energy: -92.312739
where:
bonds (distance) C4'-P energy: -24.471
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -139.939292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.939292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.939292 (E_RNA)
where:
Base-Base interactions energy: -54.491
where: short stacking energy: -39.076
Base-Backbone interact. energy: -1.145
local terms energy: -84.302997
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: 0.280
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: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -120.027748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.027748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.027748 (E_RNA)
where:
Base-Base interactions energy: -44.236
where: short stacking energy: -37.902
Base-Backbone interact. energy: -0.921
local terms energy: -74.870899
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -11.354
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: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -365.295773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.295773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.295773 (E_RNA)
where:
Base-Base interactions energy: -252.339
where: short stacking energy: -106.306
Base-Backbone interact. energy: 0.354
local terms energy: -113.311009
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -312.972600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.972600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.972600 (E_RNA)
where:
Base-Base interactions energy: -206.315
where: short stacking energy: -97.238
Base-Backbone interact. energy: -0.189
local terms energy: -106.468311
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -378.160545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.160545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.160545 (E_RNA)
where:
Base-Base interactions energy: -257.825
where: short stacking energy: -114.227
Base-Backbone interact. energy: -0.663
local terms energy: -119.672548
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -26.548
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -31.311
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: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -287.532936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.532936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.532936 (E_RNA)
where:
Base-Base interactions energy: -172.103
where: short stacking energy: -85.037
Base-Backbone interact. energy: -0.730
local terms energy: -114.700031
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -25.025
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: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -314.777157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.777157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.777157 (E_RNA)
where:
Base-Base interactions energy: -207.930
where: short stacking energy: -86.891
Base-Backbone interact. energy: 0.477
local terms energy: -107.323642
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -28.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -279.044826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.044826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.044826 (E_RNA)
where:
Base-Base interactions energy: -172.827
where: short stacking energy: -84.434
Base-Backbone interact. energy: -0.090
local terms energy: -106.128544
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -20.384
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: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -258.005084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.005084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.005084 (E_RNA)
where:
Base-Base interactions energy: -156.196
where: short stacking energy: -71.838
Base-Backbone interact. energy: -1.043
local terms energy: -100.766495
where:
bonds (distance) C4'-P energy: -25.354
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -19.449
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: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -213.112473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.112473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.112473 (E_RNA)
where:
Base-Base interactions energy: -118.785
where: short stacking energy: -50.635
Base-Backbone interact. energy: -0.408
local terms energy: -93.920016
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -18.580
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: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -116.667414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.667414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.667414 (E_RNA)
where:
Base-Base interactions energy: -44.459
where: short stacking energy: -31.881
Base-Backbone interact. energy: 2.311
local terms energy: -74.518889
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -0.913
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: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -119.456647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.456647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.456647 (E_RNA)
where:
Base-Base interactions energy: -52.129
where: short stacking energy: -39.120
Base-Backbone interact. energy: 2.491
local terms energy: -69.818189
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -362.548627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.548627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.548627 (E_RNA)
where:
Base-Base interactions energy: -247.603
where: short stacking energy: -93.957
Base-Backbone interact. energy: -0.474
local terms energy: -114.472042
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -29.367
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -24.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -373.764157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.764157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.764157 (E_RNA)
where:
Base-Base interactions energy: -259.764
where: short stacking energy: -87.257
Base-Backbone interact. energy: -0.096
local terms energy: -113.904143
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -23.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -322.288361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.288361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.288361 (E_RNA)
where:
Base-Base interactions energy: -207.928
where: short stacking energy: -89.356
Base-Backbone interact. energy: -0.216
local terms energy: -114.144756
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -278.399974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.399974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.399974 (E_RNA)
where:
Base-Base interactions energy: -174.130
where: short stacking energy: -75.967
Base-Backbone interact. energy: -1.297
local terms energy: -102.973184
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -275.904057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.904057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.904057 (E_RNA)
where:
Base-Base interactions energy: -184.170
where: short stacking energy: -84.463
Base-Backbone interact. energy: -0.595
local terms energy: -91.139046
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -282.786915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.786915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.786915 (E_RNA)
where:
Base-Base interactions energy: -177.804
where: short stacking energy: -83.018
Base-Backbone interact. energy: -0.053
local terms energy: -104.929790
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -26.446
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: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -251.496167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.496167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.496167 (E_RNA)
where:
Base-Base interactions energy: -156.893
where: short stacking energy: -77.411
Base-Backbone interact. energy: -0.367
local terms energy: -94.236024
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -222.537629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.537629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.537629 (E_RNA)
where:
Base-Base interactions energy: -136.312
where: short stacking energy: -52.234
Base-Backbone interact. energy: -0.747
local terms energy: -85.478864
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -11.397
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: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -118.082917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.082917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.082917 (E_RNA)
where:
Base-Base interactions energy: -36.609
where: short stacking energy: -33.579
Base-Backbone interact. energy: -0.238
local terms energy: -81.236298
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -8.775
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: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -114.330163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.330163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.330163 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -31.034
Base-Backbone interact. energy: -0.393
local terms energy: -81.816810
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -372.855388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.855388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.855388 (E_RNA)
where:
Base-Base interactions energy: -256.350
where: short stacking energy: -116.539
Base-Backbone interact. energy: 0.401
local terms energy: -116.906511
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -29.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -376.083747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.083747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.083747 (E_RNA)
where:
Base-Base interactions energy: -256.632
where: short stacking energy: -107.678
Base-Backbone interact. energy: -1.205
local terms energy: -118.247467
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -32.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -317.365950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.365950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.365950 (E_RNA)
where:
Base-Base interactions energy: -209.938
where: short stacking energy: -105.042
Base-Backbone interact. energy: -0.226
local terms energy: -107.201929
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -25.211
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -24.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -288.347148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.347148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.347148 (E_RNA)
where:
Base-Base interactions energy: -179.323
where: short stacking energy: -83.872
Base-Backbone interact. energy: 0.353
local terms energy: -109.377257
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -22.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -299.161369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.161369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.161369 (E_RNA)
where:
Base-Base interactions energy: -185.115
where: short stacking energy: -89.714
Base-Backbone interact. energy: -0.674
local terms energy: -113.372338
where:
bonds (distance) C4'-P energy: -25.055
bonds (distance) P-C4' energy: -22.544
flat angles C4'-P-C4' energy: -26.244
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -25.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -264.512580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.512580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.512580 (E_RNA)
where:
Base-Base interactions energy: -178.203
where: short stacking energy: -88.179
Base-Backbone interact. energy: -0.152
local terms energy: -86.157867
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -21.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -249.736477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.736477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.736477 (E_RNA)
where:
Base-Base interactions energy: -153.019
where: short stacking energy: -58.590
Base-Backbone interact. energy: -0.330
local terms energy: -96.387417
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -27.110
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -234.472657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.472657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.472657 (E_RNA)
where:
Base-Base interactions energy: -136.021
where: short stacking energy: -70.580
Base-Backbone interact. energy: -0.144
local terms energy: -98.308344
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -114.151550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.151550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.151550 (E_RNA)
where:
Base-Base interactions energy: -31.084
where: short stacking energy: -28.439
Base-Backbone interact. energy: -0.155
local terms energy: -82.912915
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -107.535741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.535741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.535741 (E_RNA)
where:
Base-Base interactions energy: -38.835
where: short stacking energy: -38.369
Base-Backbone interact. energy: -0.170
local terms energy: -68.530381
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: 2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -366.989589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.989589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.989589 (E_RNA)
where:
Base-Base interactions energy: -246.304
where: short stacking energy: -108.832
Base-Backbone interact. energy: -0.879
local terms energy: -119.806600
where:
bonds (distance) C4'-P energy: -24.962
bonds (distance) P-C4' energy: -28.439
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -30.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -375.653452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.653452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.653452 (E_RNA)
where:
Base-Base interactions energy: -245.742
where: short stacking energy: -103.740
Base-Backbone interact. energy: -0.592
local terms energy: -129.319014
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -27.785
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -26.834
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: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -315.160535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.160535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.160535 (E_RNA)
where:
Base-Base interactions energy: -196.722
where: short stacking energy: -94.046
Base-Backbone interact. energy: -0.078
local terms energy: -118.360190
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -27.526
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -30.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -306.424073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.424073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.424073 (E_RNA)
where:
Base-Base interactions energy: -207.945
where: short stacking energy: -97.106
Base-Backbone interact. energy: -0.111
local terms energy: -98.367360
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -28.842
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -263.457317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.457317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.457317 (E_RNA)
where:
Base-Base interactions energy: -169.468
where: short stacking energy: -75.362
Base-Backbone interact. energy: -0.406
local terms energy: -93.584008
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -19.771
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -279.372514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.372514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.372514 (E_RNA)
where:
Base-Base interactions energy: -170.365
where: short stacking energy: -82.453
Base-Backbone interact. energy: -0.300
local terms energy: -108.707767
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -268.085604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.085604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.085604 (E_RNA)
where:
Base-Base interactions energy: -155.279
where: short stacking energy: -67.789
Base-Backbone interact. energy: -0.773
local terms energy: -112.033729
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -27.755
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -219.760235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.760235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.760235 (E_RNA)
where:
Base-Base interactions energy: -132.847
where: short stacking energy: -70.924
Base-Backbone interact. energy: 0.082
local terms energy: -86.995058
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -16.695
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: 9, replica: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -107.681024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.681024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.681024 (E_RNA)
where:
Base-Base interactions energy: -45.036
where: short stacking energy: -27.036
Base-Backbone interact. energy: 4.129
local terms energy: -66.774005
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -22.723
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: 6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -110.064450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.064450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.064450 (E_RNA)
where:
Base-Base interactions energy: -38.169
where: short stacking energy: -37.690
Base-Backbone interact. energy: -0.382
local terms energy: -71.513360
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -6.508
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: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -367.200512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.200512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.200512 (E_RNA)
where:
Base-Base interactions energy: -242.953
where: short stacking energy: -100.554
Base-Backbone interact. energy: -1.038
local terms energy: -123.209439
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -30.097
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: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -362.159296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.159296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.159296 (E_RNA)
where:
Base-Base interactions energy: -243.453
where: short stacking energy: -104.149
Base-Backbone interact. energy: -0.557
local terms energy: -118.149265
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -19.080
tors. eta vs tors. theta energy: -27.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -316.731188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.731188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.731188 (E_RNA)
where:
Base-Base interactions energy: -202.046
where: short stacking energy: -101.617
Base-Backbone interact. energy: -0.234
local terms energy: -114.450977
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -26.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -303.713320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.713320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.713320 (E_RNA)
where:
Base-Base interactions energy: -187.714
where: short stacking energy: -102.906
Base-Backbone interact. energy: -0.812
local terms energy: -115.187569
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -27.957
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -27.703
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: 5, replica: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -302.858473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.858473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.858473 (E_RNA)
where:
Base-Base interactions energy: -186.623
where: short stacking energy: -88.831
Base-Backbone interact. energy: -0.601
local terms energy: -115.635455
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -28.498
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: 208
Temperature: 1.150000
Total energy: -265.616778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.616778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.616778 (E_RNA)
where:
Base-Base interactions energy: -176.121
where: short stacking energy: -70.444
Base-Backbone interact. energy: -0.129
local terms energy: -89.366568
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -253.591651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.591651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.591651 (E_RNA)
where:
Base-Base interactions energy: -164.592
where: short stacking energy: -77.163
Base-Backbone interact. energy: 2.135
local terms energy: -91.134600
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -14.232
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: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -242.015474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.015474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.015474 (E_RNA)
where:
Base-Base interactions energy: -168.603
where: short stacking energy: -70.505
Base-Backbone interact. energy: 0.123
local terms energy: -73.535240
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -124.729673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.729673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.729673 (E_RNA)
where:
Base-Base interactions energy: -46.456
where: short stacking energy: -45.886
Base-Backbone interact. energy: -0.194
local terms energy: -78.079562
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -26.367
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -7.930
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: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -106.356641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.356641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.356641 (E_RNA)
where:
Base-Base interactions energy: -48.380
where: short stacking energy: -39.058
Base-Backbone interact. energy: 0.862
local terms energy: -58.839150
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -25.719
flat angles C4'-P-C4' energy: -8.156
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: 7.154
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: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -369.601136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.601136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.601136 (E_RNA)
where:
Base-Base interactions energy: -243.727
where: short stacking energy: -103.729
Base-Backbone interact. energy: -0.176
local terms energy: -125.698709
where:
bonds (distance) C4'-P energy: -27.485
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -28.497
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: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -343.952872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.952872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.952872 (E_RNA)
where:
Base-Base interactions energy: -222.336
where: short stacking energy: -94.606
Base-Backbone interact. energy: -0.322
local terms energy: -121.295207
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -29.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -317.616960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.616960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.616960 (E_RNA)
where:
Base-Base interactions energy: -199.595
where: short stacking energy: -98.111
Base-Backbone interact. energy: -0.118
local terms energy: -117.904264
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -26.880
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -27.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -292.146182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.146182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.146182 (E_RNA)
where:
Base-Base interactions energy: -186.466
where: short stacking energy: -86.781
Base-Backbone interact. energy: -0.506
local terms energy: -105.174304
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -28.356
flat angles C4'-P-C4' energy: -26.193
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -270.449299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.449299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.449299 (E_RNA)
where:
Base-Base interactions energy: -172.590
where: short stacking energy: -90.066
Base-Backbone interact. energy: 0.335
local terms energy: -98.194462
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -23.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -264.071688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.071688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.071688 (E_RNA)
where:
Base-Base interactions energy: -156.124
where: short stacking energy: -82.827
Base-Backbone interact. energy: -0.094
local terms energy: -107.854587
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -24.666
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -251.550879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.550879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.550879 (E_RNA)
where:
Base-Base interactions energy: -160.348
where: short stacking energy: -71.372
Base-Backbone interact. energy: -0.191
local terms energy: -91.011409
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -19.516
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: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -239.089088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.089088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.089088 (E_RNA)
where:
Base-Base interactions energy: -155.305
where: short stacking energy: -66.106
Base-Backbone interact. energy: 0.484
local terms energy: -84.268394
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -13.249
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: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -112.297664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.297664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.297664 (E_RNA)
where:
Base-Base interactions energy: -34.344
where: short stacking energy: -24.386
Base-Backbone interact. energy: 0.863
local terms energy: -78.815743
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: 3.852
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: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -104.445684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.445684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.445684 (E_RNA)
where:
Base-Base interactions energy: -39.915
where: short stacking energy: -27.821
Base-Backbone interact. energy: -1.016
local terms energy: -63.515210
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -12.089
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: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -362.702688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.702688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.702688 (E_RNA)
where:
Base-Base interactions energy: -238.092
where: short stacking energy: -98.773
Base-Backbone interact. energy: -0.667
local terms energy: -123.943730
where:
bonds (distance) C4'-P energy: -24.798
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -26.885
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -31.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -321.477649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.477649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.477649 (E_RNA)
where:
Base-Base interactions energy: -207.385
where: short stacking energy: -104.783
Base-Backbone interact. energy: -0.051
local terms energy: -114.042231
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -28.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -323.463912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.463912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.463912 (E_RNA)
where:
Base-Base interactions energy: -211.332
where: short stacking energy: -93.958
Base-Backbone interact. energy: -0.200
local terms energy: -111.931753
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -26.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -286.791317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.791317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.791317 (E_RNA)
where:
Base-Base interactions energy: -182.860
where: short stacking energy: -83.452
Base-Backbone interact. energy: -0.242
local terms energy: -103.689590
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -23.383
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: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -278.887615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.887615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.887615 (E_RNA)
where:
Base-Base interactions energy: -188.298
where: short stacking energy: -87.369
Base-Backbone interact. energy: -1.010
local terms energy: -89.579278
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -25.573
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -15.870
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: 210
Temperature: 1.150000
Total energy: -262.631047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.631047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.631047 (E_RNA)
where:
Base-Base interactions energy: -157.371
where: short stacking energy: -76.448
Base-Backbone interact. energy: -0.421
local terms energy: -104.838628
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -27.431
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -267.709179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.709179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.709179 (E_RNA)
where:
Base-Base interactions energy: -160.148
where: short stacking energy: -84.527
Base-Backbone interact. energy: -0.823
local terms energy: -106.737487
where:
bonds (distance) C4'-P energy: -26.831
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -253.131127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.131127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.131127 (E_RNA)
where:
Base-Base interactions energy: -163.913
where: short stacking energy: -77.598
Base-Backbone interact. energy: -0.397
local terms energy: -88.820723
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -118.631789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.631789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.631789 (E_RNA)
where:
Base-Base interactions energy: -40.597
where: short stacking energy: -29.585
Base-Backbone interact. energy: -1.103
local terms energy: -76.932451
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -14.552
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: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -113.823774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.823774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.823774 (E_RNA)
where:
Base-Base interactions energy: -44.293
where: short stacking energy: -36.784
Base-Backbone interact. energy: 0.861
local terms energy: -70.392293
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -381.367071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.367071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.367071 (E_RNA)
where:
Base-Base interactions energy: -255.095
where: short stacking energy: -101.340
Base-Backbone interact. energy: -0.596
local terms energy: -125.676145
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -27.410
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: -27.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -334.378112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.378112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.378112 (E_RNA)
where:
Base-Base interactions energy: -212.606
where: short stacking energy: -103.920
Base-Backbone interact. energy: -0.124
local terms energy: -121.648091
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -26.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -329.678033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.678033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.678033 (E_RNA)
where:
Base-Base interactions energy: -211.262
where: short stacking energy: -94.907
Base-Backbone interact. energy: -0.081
local terms energy: -118.335048
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -27.817
flat angles C4'-P-C4' energy: -28.274
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -23.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -292.557657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.557657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.557657 (E_RNA)
where:
Base-Base interactions energy: -184.952
where: short stacking energy: -82.239
Base-Backbone interact. energy: 1.838
local terms energy: -109.444001
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -22.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -285.312429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.312429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.312429 (E_RNA)
where:
Base-Base interactions energy: -187.772
where: short stacking energy: -94.818
Base-Backbone interact. energy: -0.121
local terms energy: -97.419801
where:
bonds (distance) C4'-P energy: -25.830
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -272.599605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.599605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.599605 (E_RNA)
where:
Base-Base interactions energy: -175.411
where: short stacking energy: -76.021
Base-Backbone interact. energy: -0.391
local terms energy: -96.797710
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -265.945686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.945686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.945686 (E_RNA)
where:
Base-Base interactions energy: -166.936
where: short stacking energy: -74.185
Base-Backbone interact. energy: -0.523
local terms energy: -98.486751
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -19.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -243.797052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.797052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.797052 (E_RNA)
where:
Base-Base interactions energy: -170.825
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.778
local terms energy: -72.193729
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -110.285619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.285619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.285619 (E_RNA)
where:
Base-Base interactions energy: -30.075
where: short stacking energy: -22.822
Base-Backbone interact. energy: -0.351
local terms energy: -79.859594
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -12.624
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: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -136.475188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.475188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.475188 (E_RNA)
where:
Base-Base interactions energy: -60.756
where: short stacking energy: -56.463
Base-Backbone interact. energy: -0.053
local terms energy: -75.666391
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -9.391
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: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -372.242432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.242432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.242432 (E_RNA)
where:
Base-Base interactions energy: -256.761
where: short stacking energy: -94.451
Base-Backbone interact. energy: -1.034
local terms energy: -114.447065
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -26.495
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -24.056
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: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -326.351958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.351958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.351958 (E_RNA)
where:
Base-Base interactions energy: -207.312
where: short stacking energy: -110.903
Base-Backbone interact. energy: -0.047
local terms energy: -118.993191
where:
bonds (distance) C4'-P energy: -24.466
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -32.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -309.356101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.356101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.356101 (E_RNA)
where:
Base-Base interactions energy: -197.164
where: short stacking energy: -99.088
Base-Backbone interact. energy: -0.201
local terms energy: -111.990943
where:
bonds (distance) C4'-P energy: -27.188
bonds (distance) P-C4' energy: -26.705
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -24.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -331.109667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.109667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.109667 (E_RNA)
where:
Base-Base interactions energy: -213.212
where: short stacking energy: -89.571
Base-Backbone interact. energy: -0.907
local terms energy: -116.990358
where:
bonds (distance) C4'-P energy: -26.185
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -23.830
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -26.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -275.818445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.818445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.818445 (E_RNA)
where:
Base-Base interactions energy: -178.167
where: short stacking energy: -82.900
Base-Backbone interact. energy: 0.083
local terms energy: -97.734436
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -263.705678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.705678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.705678 (E_RNA)
where:
Base-Base interactions energy: -169.828
where: short stacking energy: -70.518
Base-Backbone interact. energy: -0.493
local terms energy: -93.385085
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -14.245
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: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -285.969402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.969402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.969402 (E_RNA)
where:
Base-Base interactions energy: -188.422
where: short stacking energy: -87.462
Base-Backbone interact. energy: -0.107
local terms energy: -97.439931
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -252.667176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.667176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.667176 (E_RNA)
where:
Base-Base interactions energy: -153.101
where: short stacking energy: -68.314
Base-Backbone interact. energy: -0.011
local terms energy: -99.555134
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -14.000
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: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -127.779546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.779546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.779546 (E_RNA)
where:
Base-Base interactions energy: -47.103
where: short stacking energy: -43.516
Base-Backbone interact. energy: -0.414
local terms energy: -80.262872
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -8.361
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: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -106.533766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.533766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.533766 (E_RNA)
where:
Base-Base interactions energy: -34.556
where: short stacking energy: -32.150
Base-Backbone interact. energy: -0.017
local terms energy: -71.960477
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: 0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -373.452790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.452790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.452790 (E_RNA)
where:
Base-Base interactions energy: -256.770
where: short stacking energy: -99.875
Base-Backbone interact. energy: -0.350
local terms energy: -116.332472
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -27.494
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -30.648
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: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -314.169044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.169044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.169044 (E_RNA)
where:
Base-Base interactions energy: -197.910
where: short stacking energy: -107.455
Base-Backbone interact. energy: -1.144
local terms energy: -115.115280
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -28.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -324.481972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.481972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.481972 (E_RNA)
where:
Base-Base interactions energy: -213.661
where: short stacking energy: -90.001
Base-Backbone interact. energy: -1.102
local terms energy: -109.718977
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -292.659484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.659484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.659484 (E_RNA)
where:
Base-Base interactions energy: -186.659
where: short stacking energy: -97.359
Base-Backbone interact. energy: -0.304
local terms energy: -105.696735
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -34.321
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: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -280.635078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.635078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.635078 (E_RNA)
where:
Base-Base interactions energy: -180.913
where: short stacking energy: -81.724
Base-Backbone interact. energy: -0.904
local terms energy: -98.817952
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -19.635
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: 213
Temperature: 1.150000
Total energy: -269.198964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.198964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.198964 (E_RNA)
where:
Base-Base interactions energy: -178.652
where: short stacking energy: -80.192
Base-Backbone interact. energy: 2.214
local terms energy: -92.761295
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -14.661
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: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -247.203500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.203500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.203500 (E_RNA)
where:
Base-Base interactions energy: -143.404
where: short stacking energy: -78.388
Base-Backbone interact. energy: 0.130
local terms energy: -103.929375
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -24.957
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -16.117
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: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -268.502137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.502137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.502137 (E_RNA)
where:
Base-Base interactions energy: -179.903
where: short stacking energy: -80.680
Base-Backbone interact. energy: -0.038
local terms energy: -88.561307
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -123.219158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.219158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.219158 (E_RNA)
where:
Base-Base interactions energy: -43.555
where: short stacking energy: -25.698
Base-Backbone interact. energy: -0.499
local terms energy: -79.165589
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -123.387361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.387361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.387361 (E_RNA)
where:
Base-Base interactions energy: -51.048
where: short stacking energy: -43.288
Base-Backbone interact. energy: -0.434
local terms energy: -71.905731
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -383.322814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.322814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.322814 (E_RNA)
where:
Base-Base interactions energy: -252.003
where: short stacking energy: -89.599
Base-Backbone interact. energy: -0.817
local terms energy: -130.502984
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -27.146
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -30.743
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: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -330.033914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.033914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.033914 (E_RNA)
where:
Base-Base interactions energy: -207.958
where: short stacking energy: -102.204
Base-Backbone interact. energy: -0.746
local terms energy: -121.329768
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -26.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -330.547030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.547030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.547030 (E_RNA)
where:
Base-Base interactions energy: -215.669
where: short stacking energy: -92.413
Base-Backbone interact. energy: -0.504
local terms energy: -114.374444
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -32.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -303.084789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.084789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.084789 (E_RNA)
where:
Base-Base interactions energy: -201.566
where: short stacking energy: -90.118
Base-Backbone interact. energy: -0.558
local terms energy: -100.960853
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -26.378
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -6.598
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: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -267.253350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.253350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.253350 (E_RNA)
where:
Base-Base interactions energy: -172.166
where: short stacking energy: -79.484
Base-Backbone interact. energy: -0.155
local terms energy: -94.931979
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -23.244
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: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -275.901254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.901254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.901254 (E_RNA)
where:
Base-Base interactions energy: -176.609
where: short stacking energy: -80.760
Base-Backbone interact. energy: -0.820
local terms energy: -98.471835
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -280.962845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.962845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.962845 (E_RNA)
where:
Base-Base interactions energy: -182.113
where: short stacking energy: -86.126
Base-Backbone interact. energy: 0.270
local terms energy: -99.119808
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -246.763308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.763308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.763308 (E_RNA)
where:
Base-Base interactions energy: -152.736
where: short stacking energy: -73.058
Base-Backbone interact. energy: -0.060
local terms energy: -93.966524
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -116.533373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.533373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.533373 (E_RNA)
where:
Base-Base interactions energy: -36.769
where: short stacking energy: -36.495
Base-Backbone interact. energy: -0.192
local terms energy: -79.571564
where:
bonds (distance) C4'-P energy: -24.558
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -107.466613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.466613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.466613 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -26.682
Base-Backbone interact. energy: 1.437
local terms energy: -75.318213
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -23.879
flat angles P-C4'-P energy: -15.496
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: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -391.480222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.480222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.480222 (E_RNA)
where:
Base-Base interactions energy: -260.293
where: short stacking energy: -118.663
Base-Backbone interact. energy: -0.527
local terms energy: -130.659919
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -33.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -342.366086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.366086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.366086 (E_RNA)
where:
Base-Base interactions energy: -225.795
where: short stacking energy: -101.760
Base-Backbone interact. energy: -1.652
local terms energy: -114.918966
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -32.227
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: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -309.364593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.364593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.364593 (E_RNA)
where:
Base-Base interactions energy: -207.892
where: short stacking energy: -87.232
Base-Backbone interact. energy: -0.916
local terms energy: -100.556449
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -21.397
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: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -288.394002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.394002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.394002 (E_RNA)
where:
Base-Base interactions energy: -178.546
where: short stacking energy: -86.163
Base-Backbone interact. energy: 0.200
local terms energy: -110.048481
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -23.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -283.758701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.758701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.758701 (E_RNA)
where:
Base-Base interactions energy: -183.411
where: short stacking energy: -76.358
Base-Backbone interact. energy: -0.176
local terms energy: -100.171149
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -267.835818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.835818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.835818 (E_RNA)
where:
Base-Base interactions energy: -171.110
where: short stacking energy: -74.498
Base-Backbone interact. energy: -0.565
local terms energy: -96.160025
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -16.073
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: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -270.321667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.321667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.321667 (E_RNA)
where:
Base-Base interactions energy: -177.835
where: short stacking energy: -83.583
Base-Backbone interact. energy: -0.286
local terms energy: -92.200739
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -22.028
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: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -243.669049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.669049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.669049 (E_RNA)
where:
Base-Base interactions energy: -159.408
where: short stacking energy: -70.125
Base-Backbone interact. energy: -0.373
local terms energy: -83.888644
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -112.877560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.877560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.877560 (E_RNA)
where:
Base-Base interactions energy: -38.421
where: short stacking energy: -31.586
Base-Backbone interact. energy: -0.178
local terms energy: -74.278382
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -15.593
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: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -135.158922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.158922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.158922 (E_RNA)
where:
Base-Base interactions energy: -51.556
where: short stacking energy: -50.039
Base-Backbone interact. energy: -0.744
local terms energy: -82.859043
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -377.354878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.354878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.354878 (E_RNA)
where:
Base-Base interactions energy: -258.673
where: short stacking energy: -110.010
Base-Backbone interact. energy: -0.058
local terms energy: -118.623837
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -31.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -342.807639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.807639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.807639 (E_RNA)
where:
Base-Base interactions energy: -222.381
where: short stacking energy: -100.348
Base-Backbone interact. energy: -1.495
local terms energy: -118.932181
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -28.943
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: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -321.951609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.951609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.951609 (E_RNA)
where:
Base-Base interactions energy: -221.558
where: short stacking energy: -99.624
Base-Backbone interact. energy: -0.118
local terms energy: -100.275343
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -24.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -313.264450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.264450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.264450 (E_RNA)
where:
Base-Base interactions energy: -200.111
where: short stacking energy: -100.161
Base-Backbone interact. energy: -0.263
local terms energy: -112.890360
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -26.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -302.184444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.184444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.184444 (E_RNA)
where:
Base-Base interactions energy: -192.125
where: short stacking energy: -98.468
Base-Backbone interact. energy: -0.062
local terms energy: -109.997689
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -30.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -294.905823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.905823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.905823 (E_RNA)
where:
Base-Base interactions energy: -199.383
where: short stacking energy: -83.051
Base-Backbone interact. energy: -0.199
local terms energy: -95.323627
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -13.530
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: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -255.139150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.139150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.139150 (E_RNA)
where:
Base-Base interactions energy: -154.551
where: short stacking energy: -60.201
Base-Backbone interact. energy: 0.642
local terms energy: -101.230132
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -198.155746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.155746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.155746 (E_RNA)
where:
Base-Base interactions energy: -109.087
where: short stacking energy: -56.609
Base-Backbone interact. energy: 0.190
local terms energy: -89.258166
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -7.676
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: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -112.212661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.212661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.212661 (E_RNA)
where:
Base-Base interactions energy: -33.232
where: short stacking energy: -20.705
Base-Backbone interact. energy: 1.026
local terms energy: -80.006664
where:
bonds (distance) C4'-P energy: -26.900
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: 5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -105.229857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.229857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.229857 (E_RNA)
where:
Base-Base interactions energy: -45.085
where: short stacking energy: -32.286
Base-Backbone interact. energy: 0.531
local terms energy: -60.676162
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -382.481518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.481518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.481518 (E_RNA)
where:
Base-Base interactions energy: -258.060
where: short stacking energy: -109.956
Base-Backbone interact. energy: -1.474
local terms energy: -122.947541
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -23.797
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -35.593
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: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -344.436151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.436151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.436151 (E_RNA)
where:
Base-Base interactions energy: -231.595
where: short stacking energy: -103.855
Base-Backbone interact. energy: -0.281
local terms energy: -112.560264
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -24.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -345.431650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.431650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.431650 (E_RNA)
where:
Base-Base interactions energy: -227.898
where: short stacking energy: -102.460
Base-Backbone interact. energy: -0.969
local terms energy: -116.564983
where:
bonds (distance) C4'-P energy: -24.442
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -27.601
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -27.979
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: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -306.871199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.871199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.871199 (E_RNA)
where:
Base-Base interactions energy: -202.086
where: short stacking energy: -93.310
Base-Backbone interact. energy: -0.440
local terms energy: -104.345201
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -25.799
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -28.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -273.462092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.462092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.462092 (E_RNA)
where:
Base-Base interactions energy: -174.059
where: short stacking energy: -74.707
Base-Backbone interact. energy: -0.190
local terms energy: -99.213281
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -272.791899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.791899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.791899 (E_RNA)
where:
Base-Base interactions energy: -177.866
where: short stacking energy: -82.164
Base-Backbone interact. energy: -0.159
local terms energy: -94.767325
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -288.665293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.665293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.665293 (E_RNA)
where:
Base-Base interactions energy: -193.266
where: short stacking energy: -83.611
Base-Backbone interact. energy: -0.151
local terms energy: -95.248307
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -22.031
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: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -130.380510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.380510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.380510 (E_RNA)
where:
Base-Base interactions energy: -57.860
where: short stacking energy: -56.884
Base-Backbone interact. energy: 1.460
local terms energy: -73.980343
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -188.397035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.397035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.397035 (E_RNA)
where:
Base-Base interactions energy: -104.225
where: short stacking energy: -41.098
Base-Backbone interact. energy: -0.098
local terms energy: -84.074165
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -9.780
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: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -113.661379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.661379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.661379 (E_RNA)
where:
Base-Base interactions energy: -50.172
where: short stacking energy: -42.997
Base-Backbone interact. energy: 0.877
local terms energy: -64.366821
where:
bonds (distance) C4'-P energy: -25.815
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -8.650
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: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -375.365505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.365505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.365505 (E_RNA)
where:
Base-Base interactions energy: -249.863
where: short stacking energy: -122.123
Base-Backbone interact. energy: -0.720
local terms energy: -124.782905
where:
bonds (distance) C4'-P energy: -25.460
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -29.763
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -35.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -333.638825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.638825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.638825 (E_RNA)
where:
Base-Base interactions energy: -223.659
where: short stacking energy: -92.277
Base-Backbone interact. energy: -0.717
local terms energy: -109.262482
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -26.917
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -341.494362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.494362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.494362 (E_RNA)
where:
Base-Base interactions energy: -220.785
where: short stacking energy: -96.980
Base-Backbone interact. energy: -0.956
local terms energy: -119.753223
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -28.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -349.881473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.881473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.881473 (E_RNA)
where:
Base-Base interactions energy: -237.323
where: short stacking energy: -104.140
Base-Backbone interact. energy: -0.528
local terms energy: -112.031156
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -31.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -256.184226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.184226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.184226 (E_RNA)
where:
Base-Base interactions energy: -165.176
where: short stacking energy: -70.891
Base-Backbone interact. energy: 1.194
local terms energy: -92.202070
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -278.423193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.423193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.423193 (E_RNA)
where:
Base-Base interactions energy: -187.227
where: short stacking energy: -87.870
Base-Backbone interact. energy: -0.620
local terms energy: -90.575653
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -254.804076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.804076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.804076 (E_RNA)
where:
Base-Base interactions energy: -157.296
where: short stacking energy: -64.865
Base-Backbone interact. energy: -0.460
local terms energy: -97.048091
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -25.718
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -12.134
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: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -134.349863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.349863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.349863 (E_RNA)
where:
Base-Base interactions energy: -54.350
where: short stacking energy: -25.741
Base-Backbone interact. energy: -0.400
local terms energy: -79.599834
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -1.320
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: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -177.447494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.447494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.447494 (E_RNA)
where:
Base-Base interactions energy: -100.347
where: short stacking energy: -52.858
Base-Backbone interact. energy: -0.506
local terms energy: -76.595012
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -107.948739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.948739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.948739 (E_RNA)
where:
Base-Base interactions energy: -46.297
where: short stacking energy: -41.190
Base-Backbone interact. energy: 3.587
local terms energy: -65.239205
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -367.001353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.001353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.001353 (E_RNA)
where:
Base-Base interactions energy: -244.891
where: short stacking energy: -113.619
Base-Backbone interact. energy: -0.578
local terms energy: -121.531812
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -28.563
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -34.361
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: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -355.917725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.917725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.917725 (E_RNA)
where:
Base-Base interactions energy: -232.386
where: short stacking energy: -101.122
Base-Backbone interact. energy: -1.182
local terms energy: -122.349827
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -26.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -339.596540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.596540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.596540 (E_RNA)
where:
Base-Base interactions energy: -230.720
where: short stacking energy: -94.146
Base-Backbone interact. energy: -0.496
local terms energy: -108.380508
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -309.455848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.455848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.455848 (E_RNA)
where:
Base-Base interactions energy: -193.177
where: short stacking energy: -88.443
Base-Backbone interact. energy: 0.683
local terms energy: -116.961823
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -24.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -250.600048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.600048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.600048 (E_RNA)
where:
Base-Base interactions energy: -150.988
where: short stacking energy: -68.508
Base-Backbone interact. energy: -0.357
local terms energy: -99.255022
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -26.973
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -271.798892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.798892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.798892 (E_RNA)
where:
Base-Base interactions energy: -174.500
where: short stacking energy: -73.434
Base-Backbone interact. energy: 0.159
local terms energy: -97.457766
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -251.248742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.248742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.248742 (E_RNA)
where:
Base-Base interactions energy: -169.612
where: short stacking energy: -65.452
Base-Backbone interact. energy: 0.304
local terms energy: -81.940899
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -13.132
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: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -203.681197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.681197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.681197 (E_RNA)
where:
Base-Base interactions energy: -109.755
where: short stacking energy: -59.972
Base-Backbone interact. energy: -0.271
local terms energy: -93.654914
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -126.839445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.839445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.839445 (E_RNA)
where:
Base-Base interactions energy: -58.351
where: short stacking energy: -48.519
Base-Backbone interact. energy: -0.193
local terms energy: -68.295232
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -123.146907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.146907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.146907 (E_RNA)
where:
Base-Base interactions energy: -47.268
where: short stacking energy: -35.519
Base-Backbone interact. energy: -0.359
local terms energy: -75.519502
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: 1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -374.612286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.612286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.612286 (E_RNA)
where:
Base-Base interactions energy: -247.003
where: short stacking energy: -111.892
Base-Backbone interact. energy: -1.223
local terms energy: -126.385687
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -25.329
flat angles C4'-P-C4' energy: -26.528
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -30.598
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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -362.623442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.623442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.623442 (E_RNA)
where:
Base-Base interactions energy: -235.790
where: short stacking energy: -119.977
Base-Backbone interact. energy: 0.130
local terms energy: -126.963518
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -33.940
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: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -311.075773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.075773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.075773 (E_RNA)
where:
Base-Base interactions energy: -202.390
where: short stacking energy: -98.384
Base-Backbone interact. energy: 0.243
local terms energy: -108.928834
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -27.596
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: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -310.555363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.555363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.555363 (E_RNA)
where:
Base-Base interactions energy: -198.330
where: short stacking energy: -91.809
Base-Backbone interact. energy: -0.369
local terms energy: -111.855763
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -25.946
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: 220
Temperature: 1.100000
Total energy: -266.214084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.214084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.214084 (E_RNA)
where:
Base-Base interactions energy: -165.622
where: short stacking energy: -77.216
Base-Backbone interact. energy: -0.141
local terms energy: -100.451855
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -285.699424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.699424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.699424 (E_RNA)
where:
Base-Base interactions energy: -175.777
where: short stacking energy: -87.605
Base-Backbone interact. energy: -0.661
local terms energy: -109.261649
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -22.194
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: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -256.907706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.907706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.907706 (E_RNA)
where:
Base-Base interactions energy: -167.153
where: short stacking energy: -69.219
Base-Backbone interact. energy: -0.531
local terms energy: -89.223665
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -13.972
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: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -203.792292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.792292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.792292 (E_RNA)
where:
Base-Base interactions energy: -120.103
where: short stacking energy: -56.862
Base-Backbone interact. energy: -0.988
local terms energy: -82.701708
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -116.295289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.295289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.295289 (E_RNA)
where:
Base-Base interactions energy: -35.999
where: short stacking energy: -34.929
Base-Backbone interact. energy: -0.150
local terms energy: -80.146484
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -135.575782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.575782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.575782 (E_RNA)
where:
Base-Base interactions energy: -54.544
where: short stacking energy: -45.563
Base-Backbone interact. energy: -0.294
local terms energy: -80.737825
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -26.506
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -9.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -362.214573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.214573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.214573 (E_RNA)
where:
Base-Base interactions energy: -231.504
where: short stacking energy: -103.268
Base-Backbone interact. energy: -2.279
local terms energy: -128.431430
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -27.979
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -32.640
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: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -365.298290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.298290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.298290 (E_RNA)
where:
Base-Base interactions energy: -231.089
where: short stacking energy: -116.015
Base-Backbone interact. energy: -0.451
local terms energy: -133.758186
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -29.153
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -35.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -331.292526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.292526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.292526 (E_RNA)
where:
Base-Base interactions energy: -215.492
where: short stacking energy: -99.581
Base-Backbone interact. energy: -0.305
local terms energy: -115.495145
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -26.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -305.417676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.417676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.417676 (E_RNA)
where:
Base-Base interactions energy: -196.855
where: short stacking energy: -93.498
Base-Backbone interact. energy: -0.055
local terms energy: -108.508276
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -19.476
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: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -279.431534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.431534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.431534 (E_RNA)
where:
Base-Base interactions energy: -184.673
where: short stacking energy: -81.614
Base-Backbone interact. energy: -1.197
local terms energy: -93.561699
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -10.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -261.160795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.160795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.160795 (E_RNA)
where:
Base-Base interactions energy: -174.347
where: short stacking energy: -78.160
Base-Backbone interact. energy: -0.592
local terms energy: -86.221867
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -254.155052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.155052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.155052 (E_RNA)
where:
Base-Base interactions energy: -162.527
where: short stacking energy: -70.926
Base-Backbone interact. energy: -0.353
local terms energy: -91.274231
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -14.774
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: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -239.766321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.766321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.766321 (E_RNA)
where:
Base-Base interactions energy: -142.044
where: short stacking energy: -60.801
Base-Backbone interact. energy: 0.505
local terms energy: -98.227454
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -12.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -117.711586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.711586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.711586 (E_RNA)
where:
Base-Base interactions energy: -40.046
where: short stacking energy: -30.707
Base-Backbone interact. energy: 0.901
local terms energy: -78.566249
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -1.681
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: 10, replica: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -109.652161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.652161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.652161 (E_RNA)
where:
Base-Base interactions energy: -48.527
where: short stacking energy: -34.388
Base-Backbone interact. energy: -0.002
local terms energy: -61.123550
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: 8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -345.308104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.308104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.308104 (E_RNA)
where:
Base-Base interactions energy: -220.662
where: short stacking energy: -97.988
Base-Backbone interact. energy: 2.535
local terms energy: -127.181551
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -347.742932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.742932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.742932 (E_RNA)
where:
Base-Base interactions energy: -228.163
where: short stacking energy: -97.970
Base-Backbone interact. energy: -1.647
local terms energy: -117.932598
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -26.730
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -27.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -319.868434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.868434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.868434 (E_RNA)
where:
Base-Base interactions energy: -210.112
where: short stacking energy: -95.723
Base-Backbone interact. energy: -1.723
local terms energy: -108.033393
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -26.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -322.405440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.405440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.405440 (E_RNA)
where:
Base-Base interactions energy: -206.756
where: short stacking energy: -87.756
Base-Backbone interact. energy: -0.455
local terms energy: -115.194333
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -25.108
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -255.174968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.174968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.174968 (E_RNA)
where:
Base-Base interactions energy: -157.247
where: short stacking energy: -72.371
Base-Backbone interact. energy: -0.149
local terms energy: -97.778586
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -15.092
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: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -282.426320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.426320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.426320 (E_RNA)
where:
Base-Base interactions energy: -186.319
where: short stacking energy: -81.178
Base-Backbone interact. energy: 2.415
local terms energy: -98.522309
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -261.551914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.551914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.551914 (E_RNA)
where:
Base-Base interactions energy: -165.221
where: short stacking energy: -74.558
Base-Backbone interact. energy: 0.470
local terms energy: -96.800827
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -244.089750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.089750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.089750 (E_RNA)
where:
Base-Base interactions energy: -156.823
where: short stacking energy: -65.820
Base-Backbone interact. energy: -1.031
local terms energy: -86.236595
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -123.298211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.298211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.298211 (E_RNA)
where:
Base-Base interactions energy: -57.583
where: short stacking energy: -35.663
Base-Backbone interact. energy: -1.647
local terms energy: -64.068025
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: 0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -121.084981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.084981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.084981 (E_RNA)
where:
Base-Base interactions energy: -38.374
where: short stacking energy: -34.831
Base-Backbone interact. energy: -0.149
local terms energy: -82.562310
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -366.321445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.321445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.321445 (E_RNA)
where:
Base-Base interactions energy: -247.697
where: short stacking energy: -112.462
Base-Backbone interact. energy: 0.997
local terms energy: -119.620999
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -31.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -322.650464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.650464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.650464 (E_RNA)
where:
Base-Base interactions energy: -204.620
where: short stacking energy: -88.245
Base-Backbone interact. energy: -0.337
local terms energy: -117.693825
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -30.349
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -27.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -343.964183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.964183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.964183 (E_RNA)
where:
Base-Base interactions energy: -221.296
where: short stacking energy: -94.163
Base-Backbone interact. energy: -0.907
local terms energy: -121.761873
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -31.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -286.960658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.960658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.960658 (E_RNA)
where:
Base-Base interactions energy: -194.637
where: short stacking energy: -81.566
Base-Backbone interact. energy: -0.167
local terms energy: -92.157477
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -295.601178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.601178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.601178 (E_RNA)
where:
Base-Base interactions energy: -188.967
where: short stacking energy: -74.344
Base-Backbone interact. energy: -0.910
local terms energy: -105.724365
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -28.365
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -275.537118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.537118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.537118 (E_RNA)
where:
Base-Base interactions energy: -186.953
where: short stacking energy: -79.677
Base-Backbone interact. energy: -0.170
local terms energy: -88.413743
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -8.427
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: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -261.351157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.351157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.351157 (E_RNA)
where:
Base-Base interactions energy: -155.619
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.171
local terms energy: -105.560824
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -22.728
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: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -247.183525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.183525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.183525 (E_RNA)
where:
Base-Base interactions energy: -157.005
where: short stacking energy: -71.612
Base-Backbone interact. energy: -1.404
local terms energy: -88.774509
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -8.757
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: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -107.098958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.098958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.098958 (E_RNA)
where:
Base-Base interactions energy: -25.151
where: short stacking energy: -13.753
Base-Backbone interact. energy: -0.698
local terms energy: -81.250228
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: 5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -108.006339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.006339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.006339 (E_RNA)
where:
Base-Base interactions energy: -40.344
where: short stacking energy: -25.442
Base-Backbone interact. energy: 1.331
local terms energy: -68.993371
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -14.252
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: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -367.587817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.587817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.587817 (E_RNA)
where:
Base-Base interactions energy: -236.162
where: short stacking energy: -104.998
Base-Backbone interact. energy: -0.707
local terms energy: -130.719383
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -33.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -322.568305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.568305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.568305 (E_RNA)
where:
Base-Base interactions energy: -211.490
where: short stacking energy: -90.129
Base-Backbone interact. energy: -0.039
local terms energy: -111.039424
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -26.959
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -24.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -331.766291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.766291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.766291 (E_RNA)
where:
Base-Base interactions energy: -219.228
where: short stacking energy: -99.029
Base-Backbone interact. energy: -2.178
local terms energy: -110.360060
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -26.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -305.954453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.954453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.954453 (E_RNA)
where:
Base-Base interactions energy: -197.633
where: short stacking energy: -89.466
Base-Backbone interact. energy: -0.143
local terms energy: -108.178985
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -27.770
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -282.152715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.152715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.152715 (E_RNA)
where:
Base-Base interactions energy: -182.460
where: short stacking energy: -84.639
Base-Backbone interact. energy: -1.489
local terms energy: -98.204043
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -25.429
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -18.295
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: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -288.450869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.450869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.450869 (E_RNA)
where:
Base-Base interactions energy: -187.478
where: short stacking energy: -82.082
Base-Backbone interact. energy: -0.301
local terms energy: -100.671042
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -12.946
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: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -248.330062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.330062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.330062 (E_RNA)
where:
Base-Base interactions energy: -156.227
where: short stacking energy: -73.404
Base-Backbone interact. energy: 4.081
local terms energy: -96.183808
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -23.193
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -248.704848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.704848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.704848 (E_RNA)
where:
Base-Base interactions energy: -149.549
where: short stacking energy: -68.036
Base-Backbone interact. energy: 0.072
local terms energy: -99.227749
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -22.573
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: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -149.888543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.888543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.888543 (E_RNA)
where:
Base-Base interactions energy: -79.809
where: short stacking energy: -31.687
Base-Backbone interact. energy: -1.013
local terms energy: -69.066284
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -17.114
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: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -120.329291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.329291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.329291 (E_RNA)
where:
Base-Base interactions energy: -42.794
where: short stacking energy: -42.657
Base-Backbone interact. energy: -0.630
local terms energy: -76.905398
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -374.491911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.491911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.491911 (E_RNA)
where:
Base-Base interactions energy: -251.363
where: short stacking energy: -111.347
Base-Backbone interact. energy: 0.107
local terms energy: -123.236369
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -34.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -313.405445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.405445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.405445 (E_RNA)
where:
Base-Base interactions energy: -191.335
where: short stacking energy: -93.575
Base-Backbone interact. energy: -1.155
local terms energy: -120.915742
where:
bonds (distance) C4'-P energy: -26.672
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -25.283
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: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -328.418111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.418111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.418111 (E_RNA)
where:
Base-Base interactions energy: -219.749
where: short stacking energy: -105.591
Base-Backbone interact. energy: -2.063
local terms energy: -106.606795
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -29.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -303.361092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.361092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.361092 (E_RNA)
where:
Base-Base interactions energy: -198.643
where: short stacking energy: -89.674
Base-Backbone interact. energy: -0.818
local terms energy: -103.899522
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -25.467
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -22.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -274.177969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.177969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.177969 (E_RNA)
where:
Base-Base interactions energy: -172.534
where: short stacking energy: -76.721
Base-Backbone interact. energy: 0.987
local terms energy: -102.630860
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -19.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -291.118987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.118987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.118987 (E_RNA)
where:
Base-Base interactions energy: -189.669
where: short stacking energy: -95.189
Base-Backbone interact. energy: -0.770
local terms energy: -100.679723
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -254.054055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.054055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.054055 (E_RNA)
where:
Base-Base interactions energy: -154.318
where: short stacking energy: -70.115
Base-Backbone interact. energy: -0.272
local terms energy: -99.464093
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -250.242400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.242400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.242400 (E_RNA)
where:
Base-Base interactions energy: -168.004
where: short stacking energy: -72.387
Base-Backbone interact. energy: -0.193
local terms energy: -82.044777
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -12.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -153.354500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.354500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.354500 (E_RNA)
where:
Base-Base interactions energy: -80.237
where: short stacking energy: -35.781
Base-Backbone interact. energy: -1.238
local terms energy: -71.879117
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -117.935796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.935796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.935796 (E_RNA)
where:
Base-Base interactions energy: -49.019
where: short stacking energy: -44.223
Base-Backbone interact. energy: 0.292
local terms energy: -69.208642
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -9.222
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: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -359.306697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.306697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.306697 (E_RNA)
where:
Base-Base interactions energy: -239.799
where: short stacking energy: -105.523
Base-Backbone interact. energy: -0.988
local terms energy: -118.519002
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -27.775
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: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -318.711552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.711552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.711552 (E_RNA)
where:
Base-Base interactions energy: -196.060
where: short stacking energy: -95.027
Base-Backbone interact. energy: 0.319
local terms energy: -122.970903
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -31.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -299.582218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.582218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.582218 (E_RNA)
where:
Base-Base interactions energy: -202.540
where: short stacking energy: -85.244
Base-Backbone interact. energy: -0.549
local terms energy: -96.493598
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -304.837720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.837720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.837720 (E_RNA)
where:
Base-Base interactions energy: -181.317
where: short stacking energy: -88.732
Base-Backbone interact. energy: -0.762
local terms energy: -122.758561
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -285.361073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.361073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.361073 (E_RNA)
where:
Base-Base interactions energy: -185.334
where: short stacking energy: -84.269
Base-Backbone interact. energy: 0.234
local terms energy: -100.261410
where:
bonds (distance) C4'-P energy: -23.997
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -298.417715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.417715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.417715 (E_RNA)
where:
Base-Base interactions energy: -186.597
where: short stacking energy: -88.433
Base-Backbone interact. energy: -0.158
local terms energy: -111.663364
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -24.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -264.035258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.035258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.035258 (E_RNA)
where:
Base-Base interactions energy: -157.942
where: short stacking energy: -74.023
Base-Backbone interact. energy: -0.192
local terms energy: -105.901167
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -260.578226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.578226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.578226 (E_RNA)
where:
Base-Base interactions energy: -166.732
where: short stacking energy: -77.598
Base-Backbone interact. energy: -0.599
local terms energy: -93.247313
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -9.757
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: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -131.655639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.655639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.655639 (E_RNA)
where:
Base-Base interactions energy: -44.826
where: short stacking energy: -38.092
Base-Backbone interact. energy: -0.437
local terms energy: -86.392371
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -17.369
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: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -128.126713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.126713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.126713 (E_RNA)
where:
Base-Base interactions energy: -52.880
where: short stacking energy: -51.766
Base-Backbone interact. energy: -2.980
local terms energy: -72.266719
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -9.542
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: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -370.636447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.636447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.636447 (E_RNA)
where:
Base-Base interactions energy: -251.474
where: short stacking energy: -106.900
Base-Backbone interact. energy: 0.185
local terms energy: -119.347448
where:
bonds (distance) C4'-P energy: -27.681
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -29.157
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: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -325.645789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.645789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.645789 (E_RNA)
where:
Base-Base interactions energy: -200.589
where: short stacking energy: -107.264
Base-Backbone interact. energy: -0.055
local terms energy: -125.001485
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -22.941
flat angles C4'-P-C4' energy: -28.827
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -31.523
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: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -305.848216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.848216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.848216 (E_RNA)
where:
Base-Base interactions energy: -196.767
where: short stacking energy: -97.551
Base-Backbone interact. energy: 0.520
local terms energy: -109.601707
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -22.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -292.819064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.819064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.819064 (E_RNA)
where:
Base-Base interactions energy: -179.475
where: short stacking energy: -89.403
Base-Backbone interact. energy: -0.221
local terms energy: -113.122933
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -28.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -289.032375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.032375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.032375 (E_RNA)
where:
Base-Base interactions energy: -181.436
where: short stacking energy: -81.011
Base-Backbone interact. energy: 0.123
local terms energy: -107.719160
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -23.836
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -275.044534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.044534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.044534 (E_RNA)
where:
Base-Base interactions energy: -189.736
where: short stacking energy: -80.370
Base-Backbone interact. energy: -0.200
local terms energy: -85.108250
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -257.502027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.502027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.502027 (E_RNA)
where:
Base-Base interactions energy: -171.911
where: short stacking energy: -75.056
Base-Backbone interact. energy: 0.846
local terms energy: -86.437224
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -231.135682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.135682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.135682 (E_RNA)
where:
Base-Base interactions energy: -134.161
where: short stacking energy: -64.659
Base-Backbone interact. energy: -0.398
local terms energy: -96.576934
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -120.452060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.452060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.452060 (E_RNA)
where:
Base-Base interactions energy: -46.578
where: short stacking energy: -31.786
Base-Backbone interact. energy: -0.472
local terms energy: -73.402103
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -102.328821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.328821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.328821 (E_RNA)
where:
Base-Base interactions energy: -35.450
where: short stacking energy: -35.450
Base-Backbone interact. energy: -0.407
local terms energy: -66.471724
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -373.943427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.943427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.943427 (E_RNA)
where:
Base-Base interactions energy: -250.688
where: short stacking energy: -110.388
Base-Backbone interact. energy: 0.492
local terms energy: -123.746809
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -29.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -327.907423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.907423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.907423 (E_RNA)
where:
Base-Base interactions energy: -200.262
where: short stacking energy: -106.597
Base-Backbone interact. energy: -0.103
local terms energy: -127.542578
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -26.806
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -35.386
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: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -323.640368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.640368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.640368 (E_RNA)
where:
Base-Base interactions energy: -204.679
where: short stacking energy: -94.708
Base-Backbone interact. energy: -0.295
local terms energy: -118.666079
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -25.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -299.513914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.513914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.513914 (E_RNA)
where:
Base-Base interactions energy: -192.392
where: short stacking energy: -87.569
Base-Backbone interact. energy: -0.415
local terms energy: -106.706276
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -23.383
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: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -285.743416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.743416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.743416 (E_RNA)
where:
Base-Base interactions energy: -184.316
where: short stacking energy: -82.219
Base-Backbone interact. energy: -0.166
local terms energy: -101.261023
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -280.768826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.768826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.768826 (E_RNA)
where:
Base-Base interactions energy: -172.326
where: short stacking energy: -90.544
Base-Backbone interact. energy: 1.197
local terms energy: -109.640252
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -20.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -272.828664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.828664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.828664 (E_RNA)
where:
Base-Base interactions energy: -175.250
where: short stacking energy: -80.177
Base-Backbone interact. energy: -0.257
local terms energy: -97.321309
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -21.443
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: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -236.309674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.309674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.309674 (E_RNA)
where:
Base-Base interactions energy: -137.558
where: short stacking energy: -62.663
Base-Backbone interact. energy: -0.738
local terms energy: -98.014142
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -139.315017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.315017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.315017 (E_RNA)
where:
Base-Base interactions energy: -77.345
where: short stacking energy: -46.092
Base-Backbone interact. energy: 1.303
local terms energy: -63.273637
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -121.692410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.692410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.692410 (E_RNA)
where:
Base-Base interactions energy: -41.375
where: short stacking energy: -35.553
Base-Backbone interact. energy: -0.701
local terms energy: -79.616596
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -383.753684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.753684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.753684 (E_RNA)
where:
Base-Base interactions energy: -252.815
where: short stacking energy: -110.684
Base-Backbone interact. energy: -0.721
local terms energy: -130.218436
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -35.164
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: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -334.098398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.098398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.098398 (E_RNA)
where:
Base-Base interactions energy: -205.155
where: short stacking energy: -100.791
Base-Backbone interact. energy: -0.545
local terms energy: -128.397941
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -20.927
tors. eta vs tors. theta energy: -29.723
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: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -314.282710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.282710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.282710 (E_RNA)
where:
Base-Base interactions energy: -211.148
where: short stacking energy: -84.144
Base-Backbone interact. energy: -0.261
local terms energy: -102.873453
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -23.478
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -303.331149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.331149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.331149 (E_RNA)
where:
Base-Base interactions energy: -197.833
where: short stacking energy: -90.099
Base-Backbone interact. energy: -1.390
local terms energy: -104.108723
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -25.253
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -293.740209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.740209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.740209 (E_RNA)
where:
Base-Base interactions energy: -177.880
where: short stacking energy: -95.127
Base-Backbone interact. energy: -0.721
local terms energy: -115.138881
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -24.157
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -264.230840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.230840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.230840 (E_RNA)
where:
Base-Base interactions energy: -164.653
where: short stacking energy: -81.985
Base-Backbone interact. energy: -0.404
local terms energy: -99.173225
where:
bonds (distance) C4'-P energy: -24.467
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -264.497558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.497558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.497558 (E_RNA)
where:
Base-Base interactions energy: -155.333
where: short stacking energy: -67.205
Base-Backbone interact. energy: -0.437
local terms energy: -108.728213
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -22.969
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: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -247.698271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.698271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.698271 (E_RNA)
where:
Base-Base interactions energy: -158.965
where: short stacking energy: -61.756
Base-Backbone interact. energy: -0.132
local terms energy: -88.601422
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -11.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -137.001344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.001344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.001344 (E_RNA)
where:
Base-Base interactions energy: -63.399
where: short stacking energy: -50.501
Base-Backbone interact. energy: -0.585
local terms energy: -73.017986
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -112.461429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.461429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.461429 (E_RNA)
where:
Base-Base interactions energy: -37.990
where: short stacking energy: -34.189
Base-Backbone interact. energy: -0.465
local terms energy: -74.006631
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -21.295
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -376.098561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.098561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.098561 (E_RNA)
where:
Base-Base interactions energy: -249.078
where: short stacking energy: -109.535
Base-Backbone interact. energy: -0.673
local terms energy: -126.347737
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -27.312
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -30.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -311.707732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.707732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.707732 (E_RNA)
where:
Base-Base interactions energy: -200.057
where: short stacking energy: -93.608
Base-Backbone interact. energy: -0.084
local terms energy: -111.567156
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -312.607493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.607493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.607493 (E_RNA)
where:
Base-Base interactions energy: -202.106
where: short stacking energy: -87.561
Base-Backbone interact. energy: -0.305
local terms energy: -110.196937
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -24.348
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -20.135
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: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -336.565748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.565748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.565748 (E_RNA)
where:
Base-Base interactions energy: -235.911
where: short stacking energy: -88.071
Base-Backbone interact. energy: 1.272
local terms energy: -101.926534
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -280.932723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.932723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.932723 (E_RNA)
where:
Base-Base interactions energy: -175.705
where: short stacking energy: -87.128
Base-Backbone interact. energy: -1.034
local terms energy: -104.192945
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -20.655
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: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -280.640591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.640591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.640591 (E_RNA)
where:
Base-Base interactions energy: -169.757
where: short stacking energy: -84.135
Base-Backbone interact. energy: -0.674
local terms energy: -110.209915
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -25.276
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -24.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -241.975429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.975429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.975429 (E_RNA)
where:
Base-Base interactions energy: -146.890
where: short stacking energy: -71.445
Base-Backbone interact. energy: 0.849
local terms energy: -95.934617
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -244.803344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.803344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.803344 (E_RNA)
where:
Base-Base interactions energy: -150.351
where: short stacking energy: -68.387
Base-Backbone interact. energy: -1.427
local terms energy: -93.024616
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -13.829
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: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -129.707821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.707821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.707821 (E_RNA)
where:
Base-Base interactions energy: -45.588
where: short stacking energy: -36.536
Base-Backbone interact. energy: -0.168
local terms energy: -83.952137
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -13.385
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: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -109.473952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.473952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.473952 (E_RNA)
where:
Base-Base interactions energy: -37.332
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.329
local terms energy: -71.812524
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -1.853
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -384.994883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.994883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.994883 (E_RNA)
where:
Base-Base interactions energy: -256.128
where: short stacking energy: -117.500
Base-Backbone interact. energy: -0.755
local terms energy: -128.111971
where:
bonds (distance) C4'-P energy: -24.672
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -34.798
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: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -343.423150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.423150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.423150 (E_RNA)
where:
Base-Base interactions energy: -227.056
where: short stacking energy: -99.730
Base-Backbone interact. energy: -0.102
local terms energy: -116.264785
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -26.159
flat angles C4'-P-C4' energy: -25.526
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -23.648
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: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -295.774979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.774979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.774979 (E_RNA)
where:
Base-Base interactions energy: -177.807
where: short stacking energy: -88.222
Base-Backbone interact. energy: -0.752
local terms energy: -117.215738
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -28.173
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -24.703
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: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -334.052686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.052686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.052686 (E_RNA)
where:
Base-Base interactions energy: -222.874
where: short stacking energy: -94.815
Base-Backbone interact. energy: -0.640
local terms energy: -110.538686
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -19.170
tors. eta vs tors. theta energy: -22.410
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: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -273.027157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.027157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.027157 (E_RNA)
where:
Base-Base interactions energy: -170.438
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.262
local terms energy: -102.327528
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -25.169
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -15.952
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: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -269.433091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.433091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.433091 (E_RNA)
where:
Base-Base interactions energy: -174.673
where: short stacking energy: -95.489
Base-Backbone interact. energy: -0.166
local terms energy: -94.593715
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -22.162
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: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -265.791311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.791311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.791311 (E_RNA)
where:
Base-Base interactions energy: -167.818
where: short stacking energy: -74.968
Base-Backbone interact. energy: -0.220
local terms energy: -97.753175
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -26.102
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -235.795372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.795372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.795372 (E_RNA)
where:
Base-Base interactions energy: -146.804
where: short stacking energy: -63.798
Base-Backbone interact. energy: -0.224
local terms energy: -88.767735
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -13.752
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: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -129.948548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.948548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.948548 (E_RNA)
where:
Base-Base interactions energy: -51.364
where: short stacking energy: -50.267
Base-Backbone interact. energy: 0.514
local terms energy: -79.098659
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -10.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -107.342383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.342383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.342383 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -40.780
Base-Backbone interact. energy: -0.333
local terms energy: -66.228939
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: 3.686
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: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -386.558995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.558995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.558995 (E_RNA)
where:
Base-Base interactions energy: -257.327
where: short stacking energy: -117.263
Base-Backbone interact. energy: -0.494
local terms energy: -128.738538
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -26.392
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -35.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -347.666947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.666947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.666947 (E_RNA)
where:
Base-Base interactions energy: -239.685
where: short stacking energy: -93.063
Base-Backbone interact. energy: -1.604
local terms energy: -106.378646
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -350.744104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.744104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.744104 (E_RNA)
where:
Base-Base interactions energy: -241.332
where: short stacking energy: -99.294
Base-Backbone interact. energy: -0.979
local terms energy: -108.433431
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -20.828
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -22.882
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: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -299.043118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.043118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.043118 (E_RNA)
where:
Base-Base interactions energy: -192.497
where: short stacking energy: -92.011
Base-Backbone interact. energy: -0.444
local terms energy: -106.102764
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -264.885726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.885726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.885726 (E_RNA)
where:
Base-Base interactions energy: -160.393
where: short stacking energy: -84.378
Base-Backbone interact. energy: 1.192
local terms energy: -105.684629
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -29.436
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -296.301785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.301785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.301785 (E_RNA)
where:
Base-Base interactions energy: -184.892
where: short stacking energy: -83.832
Base-Backbone interact. energy: -1.228
local terms energy: -110.182551
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -25.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -261.369735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.369735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.369735 (E_RNA)
where:
Base-Base interactions energy: -173.430
where: short stacking energy: -70.028
Base-Backbone interact. energy: -0.813
local terms energy: -87.126711
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -23.597
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -236.435130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.435130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.435130 (E_RNA)
where:
Base-Base interactions energy: -142.530
where: short stacking energy: -67.238
Base-Backbone interact. energy: -0.183
local terms energy: -93.722541
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -25.216
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -11.087
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: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -127.208629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.208629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.208629 (E_RNA)
where:
Base-Base interactions energy: -46.668
where: short stacking energy: -35.207
Base-Backbone interact. energy: -0.434
local terms energy: -80.106178
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -113.726193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.726193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.726193 (E_RNA)
where:
Base-Base interactions energy: -44.617
where: short stacking energy: -27.414
Base-Backbone interact. energy: -0.511
local terms energy: -68.598039
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -26.952
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -375.169143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.169143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.169143 (E_RNA)
where:
Base-Base interactions energy: -250.758
where: short stacking energy: -116.908
Base-Backbone interact. energy: -0.570
local terms energy: -123.841863
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -35.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -366.127224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.127224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.127224 (E_RNA)
where:
Base-Base interactions energy: -251.918
where: short stacking energy: -104.663
Base-Backbone interact. energy: 1.748
local terms energy: -115.957972
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -26.623
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -27.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -340.295926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.295926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.295926 (E_RNA)
where:
Base-Base interactions energy: -228.590
where: short stacking energy: -94.923
Base-Backbone interact. energy: -0.380
local terms energy: -111.325887
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -26.235
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -302.524571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.524571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.524571 (E_RNA)
where:
Base-Base interactions energy: -198.054
where: short stacking energy: -89.629
Base-Backbone interact. energy: -0.774
local terms energy: -103.697354
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -284.955818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.955818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.955818 (E_RNA)
where:
Base-Base interactions energy: -177.391
where: short stacking energy: -88.965
Base-Backbone interact. energy: 2.910
local terms energy: -110.474656
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -26.465
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -29.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -283.687872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.687872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.687872 (E_RNA)
where:
Base-Base interactions energy: -165.439
where: short stacking energy: -81.721
Base-Backbone interact. energy: -1.180
local terms energy: -117.069644
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -28.381
flat angles P-C4'-P energy: -15.372
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: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -261.113213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.113213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.113213 (E_RNA)
where:
Base-Base interactions energy: -171.109
where: short stacking energy: -69.402
Base-Backbone interact. energy: -1.458
local terms energy: -88.546628
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -10.425
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: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -235.583984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.583984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.583984 (E_RNA)
where:
Base-Base interactions energy: -150.462
where: short stacking energy: -69.655
Base-Backbone interact. energy: -0.379
local terms energy: -84.743385
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -123.457987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.457987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.457987 (E_RNA)
where:
Base-Base interactions energy: -51.870
where: short stacking energy: -35.434
Base-Backbone interact. energy: -1.500
local terms energy: -70.087939
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -2.846
tors. eta vs tors. theta energy: -2.762
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: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -101.681716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.681716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.681716 (E_RNA)
where:
Base-Base interactions energy: -24.348
where: short stacking energy: -18.604
Base-Backbone interact. energy: -0.858
local terms energy: -76.476119
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: 3.068
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: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -380.338709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.338709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.338709 (E_RNA)
where:
Base-Base interactions energy: -242.669
where: short stacking energy: -104.757
Base-Backbone interact. energy: -0.360
local terms energy: -137.309832
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -26.401
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -20.529
tors. eta vs tors. theta energy: -34.108
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: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -369.001915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.001915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.001915 (E_RNA)
where:
Base-Base interactions energy: -249.254
where: short stacking energy: -95.273
Base-Backbone interact. energy: -0.561
local terms energy: -119.186354
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -20.261
tors. eta vs tors. theta energy: -27.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -309.800907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.800907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.800907 (E_RNA)
where:
Base-Base interactions energy: -198.844
where: short stacking energy: -89.505
Base-Backbone interact. energy: -0.319
local terms energy: -110.637594
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -27.126
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -26.250
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: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -306.370850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.370850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.370850 (E_RNA)
where:
Base-Base interactions energy: -190.697
where: short stacking energy: -93.911
Base-Backbone interact. energy: -0.485
local terms energy: -115.189069
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -26.176
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -25.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -287.988127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.988127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.988127 (E_RNA)
where:
Base-Base interactions energy: -190.003
where: short stacking energy: -89.131
Base-Backbone interact. energy: -0.131
local terms energy: -97.854346
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -25.124
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: 234
Temperature: 1.150000
Total energy: -261.265472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.265472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.265472 (E_RNA)
where:
Base-Base interactions energy: -168.921
where: short stacking energy: -85.476
Base-Backbone interact. energy: -0.156
local terms energy: -92.188644
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -273.924738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.924738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.924738 (E_RNA)
where:
Base-Base interactions energy: -174.627
where: short stacking energy: -77.431
Base-Backbone interact. energy: -0.965
local terms energy: -98.333230
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -205.865907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.865907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.865907 (E_RNA)
where:
Base-Base interactions energy: -131.108
where: short stacking energy: -56.953
Base-Backbone interact. energy: -0.219
local terms energy: -74.539497
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -6.711
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: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -117.302591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.302591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.302591 (E_RNA)
where:
Base-Base interactions energy: -41.173
where: short stacking energy: -36.327
Base-Backbone interact. energy: 0.646
local terms energy: -76.775887
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: 2.214
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: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -116.795760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.795760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.795760 (E_RNA)
where:
Base-Base interactions energy: -39.703
where: short stacking energy: -31.784
Base-Backbone interact. energy: 1.271
local terms energy: -78.363864
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -378.196152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.196152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.196152 (E_RNA)
where:
Base-Base interactions energy: -248.643
where: short stacking energy: -115.078
Base-Backbone interact. energy: 0.766
local terms energy: -130.319136
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -34.627
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: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -366.801925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.801925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.801925 (E_RNA)
where:
Base-Base interactions energy: -251.607
where: short stacking energy: -102.446
Base-Backbone interact. energy: -0.716
local terms energy: -114.479598
where:
bonds (distance) C4'-P energy: -22.766
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -23.208
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: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -312.506748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.506748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.506748 (E_RNA)
where:
Base-Base interactions energy: -195.071
where: short stacking energy: -97.159
Base-Backbone interact. energy: -0.113
local terms energy: -117.322960
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -27.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -285.604921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.604921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.604921 (E_RNA)
where:
Base-Base interactions energy: -194.112
where: short stacking energy: -78.823
Base-Backbone interact. energy: 2.098
local terms energy: -93.590387
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -11.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -276.779101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.779101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.779101 (E_RNA)
where:
Base-Base interactions energy: -167.583
where: short stacking energy: -78.240
Base-Backbone interact. energy: -1.478
local terms energy: -107.718179
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -284.013238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.013238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.013238 (E_RNA)
where:
Base-Base interactions energy: -186.355
where: short stacking energy: -82.137
Base-Backbone interact. energy: -0.105
local terms energy: -97.553187
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -24.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -268.983285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.983285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.983285 (E_RNA)
where:
Base-Base interactions energy: -181.256
where: short stacking energy: -81.776
Base-Backbone interact. energy: -0.467
local terms energy: -87.260601
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -25.211
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -13.978
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: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -220.671888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.671888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.671888 (E_RNA)
where:
Base-Base interactions energy: -142.464
where: short stacking energy: -58.260
Base-Backbone interact. energy: -0.340
local terms energy: -77.868149
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -8.195
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: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -126.565408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.565408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.565408 (E_RNA)
where:
Base-Base interactions energy: -41.862
where: short stacking energy: -33.148
Base-Backbone interact. energy: -0.100
local terms energy: -84.603341
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -26.833
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -108.946792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.946792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.946792 (E_RNA)
where:
Base-Base interactions energy: -29.204
where: short stacking energy: -28.421
Base-Backbone interact. energy: 0.579
local terms energy: -80.322654
where:
bonds (distance) C4'-P energy: -26.173
bonds (distance) P-C4' energy: -25.292
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -388.146408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.146408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.146408 (E_RNA)
where:
Base-Base interactions energy: -258.852
where: short stacking energy: -101.525
Base-Backbone interact. energy: -0.143
local terms energy: -129.150672
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -29.832
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -27.940
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -368.094279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.094279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.094279 (E_RNA)
where:
Base-Base interactions energy: -244.567
where: short stacking energy: -113.190
Base-Backbone interact. energy: -0.164
local terms energy: -123.363971
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -37.022
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: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -310.654842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.654842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.654842 (E_RNA)
where:
Base-Base interactions energy: -190.597
where: short stacking energy: -84.758
Base-Backbone interact. energy: -0.432
local terms energy: -119.625753
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -26.764
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -24.441
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: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -304.724942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.724942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.724942 (E_RNA)
where:
Base-Base interactions energy: -204.750
where: short stacking energy: -88.695
Base-Backbone interact. energy: -1.215
local terms energy: -98.759786
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -14.215
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: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -280.258770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.258770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.258770 (E_RNA)
where:
Base-Base interactions energy: -175.229
where: short stacking energy: -81.979
Base-Backbone interact. energy: -0.258
local terms energy: -104.771450
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -283.339859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.339859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.339859 (E_RNA)
where:
Base-Base interactions energy: -171.297
where: short stacking energy: -88.599
Base-Backbone interact. energy: -0.201
local terms energy: -111.841698
where:
bonds (distance) C4'-P energy: -21.921
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -26.666
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: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -242.634972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.634972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.634972 (E_RNA)
where:
Base-Base interactions energy: -160.959
where: short stacking energy: -62.099
Base-Backbone interact. energy: 2.149
local terms energy: -83.825052
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -235.434922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.434922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.434922 (E_RNA)
where:
Base-Base interactions energy: -142.617
where: short stacking energy: -54.236
Base-Backbone interact. energy: 4.221
local terms energy: -97.038986
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -12.894
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: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -143.322644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.322644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.322644 (E_RNA)
where:
Base-Base interactions energy: -69.838
where: short stacking energy: -31.191
Base-Backbone interact. energy: -1.334
local terms energy: -72.150269
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: 3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -114.840226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.840226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.840226 (E_RNA)
where:
Base-Base interactions energy: -41.632
where: short stacking energy: -34.105
Base-Backbone interact. energy: -0.080
local terms energy: -73.127883
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -386.356604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.356604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.356604 (E_RNA)
where:
Base-Base interactions energy: -273.839
where: short stacking energy: -109.548
Base-Backbone interact. energy: -0.223
local terms energy: -112.294466
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -24.690
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: 237
Temperature: 0.950000
Total energy: -367.688120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.688120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.688120 (E_RNA)
where:
Base-Base interactions energy: -238.502
where: short stacking energy: -108.180
Base-Backbone interact. energy: -1.437
local terms energy: -127.748863
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -22.323
tors. eta vs tors. theta energy: -31.048
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: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -316.987129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.987129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.987129 (E_RNA)
where:
Base-Base interactions energy: -216.945
where: short stacking energy: -100.860
Base-Backbone interact. energy: 1.191
local terms energy: -101.233873
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -27.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -311.818643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.818643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.818643 (E_RNA)
where:
Base-Base interactions energy: -192.098
where: short stacking energy: -89.678
Base-Backbone interact. energy: -0.428
local terms energy: -119.292777
where:
bonds (distance) C4'-P energy: -24.504
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -26.251
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: 237
Temperature: 1.100000
Total energy: -294.758949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.758949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.758949 (E_RNA)
where:
Base-Base interactions energy: -192.341
where: short stacking energy: -95.569
Base-Backbone interact. energy: -0.341
local terms energy: -102.076103
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -25.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -266.812185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.812185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.812185 (E_RNA)
where:
Base-Base interactions energy: -162.220
where: short stacking energy: -69.369
Base-Backbone interact. energy: -0.210
local terms energy: -104.381878
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -275.518084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.518084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.518084 (E_RNA)
where:
Base-Base interactions energy: -168.915
where: short stacking energy: -82.233
Base-Backbone interact. energy: -0.484
local terms energy: -106.119040
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -240.058874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.058874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.058874 (E_RNA)
where:
Base-Base interactions energy: -150.775
where: short stacking energy: -60.205
Base-Backbone interact. energy: -1.714
local terms energy: -87.570043
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -113.005471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.005471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.005471 (E_RNA)
where:
Base-Base interactions energy: -35.027
where: short stacking energy: -27.324
Base-Backbone interact. energy: -0.247
local terms energy: -77.732173
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -16.025
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: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -106.615921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.615921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.615921 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -35.624
Base-Backbone interact. energy: -0.136
local terms energy: -70.498366
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -6.098
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: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -365.152590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.152590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.152590 (E_RNA)
where:
Base-Base interactions energy: -241.232
where: short stacking energy: -109.043
Base-Backbone interact. energy: -0.186
local terms energy: -123.734441
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -32.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -376.431120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.431120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.431120 (E_RNA)
where:
Base-Base interactions energy: -258.775
where: short stacking energy: -104.746
Base-Backbone interact. energy: -0.410
local terms energy: -117.246347
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -27.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -319.738785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.738785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.738785 (E_RNA)
where:
Base-Base interactions energy: -197.779
where: short stacking energy: -96.652
Base-Backbone interact. energy: -0.080
local terms energy: -121.879338
where:
bonds (distance) C4'-P energy: -25.138
bonds (distance) P-C4' energy: -24.957
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -29.530
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: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -285.271255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.271255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.271255 (E_RNA)
where:
Base-Base interactions energy: -190.271
where: short stacking energy: -79.599
Base-Backbone interact. energy: -0.478
local terms energy: -94.522025
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -290.986636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.986636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.986636 (E_RNA)
where:
Base-Base interactions energy: -183.173
where: short stacking energy: -91.531
Base-Backbone interact. energy: -0.964
local terms energy: -106.848973
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -24.154
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: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -266.709570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.709570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.709570 (E_RNA)
where:
Base-Base interactions energy: -174.845
where: short stacking energy: -76.867
Base-Backbone interact. energy: -0.387
local terms energy: -91.477569
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -15.166
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: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -240.487689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.487689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.487689 (E_RNA)
where:
Base-Base interactions energy: -149.265
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.326
local terms energy: -90.896147
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -25.157
flat angles P-C4'-P energy: -11.600
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: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -243.501069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.501069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.501069 (E_RNA)
where:
Base-Base interactions energy: -147.313
where: short stacking energy: -73.104
Base-Backbone interact. energy: -0.299
local terms energy: -95.889480
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -133.334632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.334632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.334632 (E_RNA)
where:
Base-Base interactions energy: -54.446
where: short stacking energy: -54.446
Base-Backbone interact. energy: -0.117
local terms energy: -78.771632
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -13.178
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: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -123.123283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.123283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.123283 (E_RNA)
where:
Base-Base interactions energy: -52.067
where: short stacking energy: -35.138
Base-Backbone interact. energy: -0.317
local terms energy: -70.739820
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -26.227
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -371.098443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.098443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.098443 (E_RNA)
where:
Base-Base interactions energy: -240.851
where: short stacking energy: -105.248
Base-Backbone interact. energy: 0.736
local terms energy: -130.983184
where:
bonds (distance) C4'-P energy: -28.274
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -38.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -377.933600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.933600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.933600 (E_RNA)
where:
Base-Base interactions energy: -263.534
where: short stacking energy: -100.284
Base-Backbone interact. energy: -1.314
local terms energy: -113.085296
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -23.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -318.025746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.025746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.025746 (E_RNA)
where:
Base-Base interactions energy: -199.993
where: short stacking energy: -96.233
Base-Backbone interact. energy: -0.028
local terms energy: -118.004716
where:
bonds (distance) C4'-P energy: -26.409
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -31.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -301.765526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.765526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.765526 (E_RNA)
where:
Base-Base interactions energy: -189.155
where: short stacking energy: -87.201
Base-Backbone interact. energy: -0.155
local terms energy: -112.455541
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -275.479745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.479745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.479745 (E_RNA)
where:
Base-Base interactions energy: -167.232
where: short stacking energy: -90.922
Base-Backbone interact. energy: -0.044
local terms energy: -108.203157
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -27.045
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -273.573784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.573784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.573784 (E_RNA)
where:
Base-Base interactions energy: -157.745
where: short stacking energy: -87.874
Base-Backbone interact. energy: -0.284
local terms energy: -115.545309
where:
bonds (distance) C4'-P energy: -27.352
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -259.807603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.807603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.807603 (E_RNA)
where:
Base-Base interactions energy: -164.900
where: short stacking energy: -75.887
Base-Backbone interact. energy: -0.351
local terms energy: -94.556874
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -22.407
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -16.680
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: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -249.927225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.927225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.927225 (E_RNA)
where:
Base-Base interactions energy: -156.089
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.569
local terms energy: -93.268786
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -111.637338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.637338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.637338 (E_RNA)
where:
Base-Base interactions energy: -45.882
where: short stacking energy: -45.882
Base-Backbone interact. energy: 0.921
local terms energy: -66.676127
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -112.313411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.313411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.313411 (E_RNA)
where:
Base-Base interactions energy: -40.690
where: short stacking energy: -34.268
Base-Backbone interact. energy: 1.503
local terms energy: -73.126195
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -368.731449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.731449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.731449 (E_RNA)
where:
Base-Base interactions energy: -246.317
where: short stacking energy: -98.060
Base-Backbone interact. energy: -0.265
local terms energy: -122.149068
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -34.405
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: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -379.398595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.398595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.398595 (E_RNA)
where:
Base-Base interactions energy: -256.067
where: short stacking energy: -104.058
Base-Backbone interact. energy: -0.196
local terms energy: -123.135245
where:
bonds (distance) C4'-P energy: -26.330
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -28.406
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: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -323.274634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.274634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.274634 (E_RNA)
where:
Base-Base interactions energy: -197.627
where: short stacking energy: -94.036
Base-Backbone interact. energy: -0.035
local terms energy: -125.613310
where:
bonds (distance) C4'-P energy: -23.849
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -27.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -286.426693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.426693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.426693 (E_RNA)
where:
Base-Base interactions energy: -187.172
where: short stacking energy: -74.152
Base-Backbone interact. energy: -0.267
local terms energy: -98.987960
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -16.251
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: 240
Temperature: 1.100000
Total energy: -283.332875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.332875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.332875 (E_RNA)
where:
Base-Base interactions energy: -178.222
where: short stacking energy: -92.271
Base-Backbone interact. energy: -0.328
local terms energy: -104.782425
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -281.646294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.646294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.646294 (E_RNA)
where:
Base-Base interactions energy: -180.942
where: short stacking energy: -79.607
Base-Backbone interact. energy: -0.095
local terms energy: -100.609522
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -247.236544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.236544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.236544 (E_RNA)
where:
Base-Base interactions energy: -157.384
where: short stacking energy: -75.865
Base-Backbone interact. energy: -0.752
local terms energy: -89.101052
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -249.566428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.566428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.566428 (E_RNA)
where:
Base-Base interactions energy: -155.563
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.561
local terms energy: -93.442396
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -116.013457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.013457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.013457 (E_RNA)
where:
Base-Base interactions energy: -35.402
where: short stacking energy: -32.335
Base-Backbone interact. energy: -0.269
local terms energy: -80.342210
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -14.069
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: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -123.851777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.851777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.851777 (E_RNA)
where:
Base-Base interactions energy: -46.732
where: short stacking energy: -34.970
Base-Backbone interact. energy: -0.146
local terms energy: -76.973548
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -361.408224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.408224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.408224 (E_RNA)
where:
Base-Base interactions energy: -230.749
where: short stacking energy: -102.067
Base-Backbone interact. energy: -0.182
local terms energy: -130.476590
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -31.001
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -29.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -390.662275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.662275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.662275 (E_RNA)
where:
Base-Base interactions energy: -266.107
where: short stacking energy: -108.961
Base-Backbone interact. energy: -0.330
local terms energy: -124.225572
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -26.519
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -29.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -302.191990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.191990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.191990 (E_RNA)
where:
Base-Base interactions energy: -196.041
where: short stacking energy: -90.771
Base-Backbone interact. energy: -0.140
local terms energy: -106.010948
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -303.287503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.287503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.287503 (E_RNA)
where:
Base-Base interactions energy: -184.094
where: short stacking energy: -89.001
Base-Backbone interact. energy: -0.888
local terms energy: -118.305662
where:
bonds (distance) C4'-P energy: -26.482
bonds (distance) P-C4' energy: -27.714
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -25.299
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: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -274.487935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.487935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.487935 (E_RNA)
where:
Base-Base interactions energy: -176.758
where: short stacking energy: -85.065
Base-Backbone interact. energy: -0.354
local terms energy: -97.376123
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -22.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -284.588389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.588389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.588389 (E_RNA)
where:
Base-Base interactions energy: -173.644
where: short stacking energy: -89.134
Base-Backbone interact. energy: -0.172
local terms energy: -110.772694
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -272.155231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.155231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.155231 (E_RNA)
where:
Base-Base interactions energy: -165.490
where: short stacking energy: -81.308
Base-Backbone interact. energy: -0.485
local terms energy: -106.179738
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -266.664151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.664151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.664151 (E_RNA)
where:
Base-Base interactions energy: -175.065
where: short stacking energy: -67.219
Base-Backbone interact. energy: -1.477
local terms energy: -90.122563
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -135.454503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.454503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.454503 (E_RNA)
where:
Base-Base interactions energy: -52.602
where: short stacking energy: -41.572
Base-Backbone interact. energy: -0.406
local terms energy: -82.446261
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -11.438
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: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -108.486219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.486219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.486219 (E_RNA)
where:
Base-Base interactions energy: -38.725
where: short stacking energy: -33.422
Base-Backbone interact. energy: -0.248
local terms energy: -69.513613
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -369.824459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.824459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.824459 (E_RNA)
where:
Base-Base interactions energy: -250.106
where: short stacking energy: -111.001
Base-Backbone interact. energy: -0.389
local terms energy: -119.328987
where:
bonds (distance) C4'-P energy: -22.602
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -26.832
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: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -344.084472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.084472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.084472 (E_RNA)
where:
Base-Base interactions energy: -212.452
where: short stacking energy: -109.639
Base-Backbone interact. energy: -0.726
local terms energy: -130.905895
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -29.711
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -31.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -317.342453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.342453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.342453 (E_RNA)
where:
Base-Base interactions energy: -203.828
where: short stacking energy: -96.798
Base-Backbone interact. energy: -0.390
local terms energy: -113.124464
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -25.216
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -24.398
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: 242
Temperature: 1.050000
Total energy: -306.551745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.551745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.551745 (E_RNA)
where:
Base-Base interactions energy: -196.017
where: short stacking energy: -91.804
Base-Backbone interact. energy: -0.210
local terms energy: -110.324238
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -284.289493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.289493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.289493 (E_RNA)
where:
Base-Base interactions energy: -168.428
where: short stacking energy: -85.199
Base-Backbone interact. energy: -0.046
local terms energy: -115.815397
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -27.804
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -267.278944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.278944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.278944 (E_RNA)
where:
Base-Base interactions energy: -176.260
where: short stacking energy: -84.931
Base-Backbone interact. energy: 0.604
local terms energy: -91.622988
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -18.904
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: 242
Temperature: 1.200000
Total energy: -264.075358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.075358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.075358 (E_RNA)
where:
Base-Base interactions energy: -167.271
where: short stacking energy: -79.865
Base-Backbone interact. energy: -0.404
local terms energy: -96.400441
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -22.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -249.185361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.185361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.185361 (E_RNA)
where:
Base-Base interactions energy: -150.434
where: short stacking energy: -60.485
Base-Backbone interact. energy: 0.608
local terms energy: -99.359707
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -27.024
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -14.382
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: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -112.456003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.456003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.456003 (E_RNA)
where:
Base-Base interactions energy: -55.013
where: short stacking energy: -35.406
Base-Backbone interact. energy: -0.575
local terms energy: -56.868463
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: 4.627
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: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -104.013543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.013543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.013543 (E_RNA)
where:
Base-Base interactions energy: -33.113
where: short stacking energy: -29.443
Base-Backbone interact. energy: -0.532
local terms energy: -70.369181
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -373.978449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.978449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.978449 (E_RNA)
where:
Base-Base interactions energy: -259.238
where: short stacking energy: -103.078
Base-Backbone interact. energy: -0.144
local terms energy: -114.596520
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: -24.218
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: 243
Temperature: 0.950000
Total energy: -360.397738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.397738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.397738 (E_RNA)
where:
Base-Base interactions energy: -235.475
where: short stacking energy: -113.906
Base-Backbone interact. energy: -0.280
local terms energy: -124.642740
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -34.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -311.486080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.486080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.486080 (E_RNA)
where:
Base-Base interactions energy: -195.400
where: short stacking energy: -93.306
Base-Backbone interact. energy: -0.716
local terms energy: -115.370557
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -25.718
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -26.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -311.814589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.814589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.814589 (E_RNA)
where:
Base-Base interactions energy: -196.089
where: short stacking energy: -96.961
Base-Backbone interact. energy: -0.064
local terms energy: -115.661871
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -292.385441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.385441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.385441 (E_RNA)
where:
Base-Base interactions energy: -191.314
where: short stacking energy: -78.676
Base-Backbone interact. energy: 0.658
local terms energy: -101.728839
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -271.118812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.118812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.118812 (E_RNA)
where:
Base-Base interactions energy: -167.198
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.110
local terms energy: -103.810928
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -254.150027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.150027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.150027 (E_RNA)
where:
Base-Base interactions energy: -157.799
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.123
local terms energy: -96.228218
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -237.787600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.787600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.787600 (E_RNA)
where:
Base-Base interactions energy: -135.821
where: short stacking energy: -63.420
Base-Backbone interact. energy: 0.462
local terms energy: -102.428550
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -26.759
flat angles C4'-P-C4' energy: -24.474
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -110.620088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.620088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.620088 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -24.264
Base-Backbone interact. energy: -0.831
local terms energy: -79.718439
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -106.395006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.395006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.395006 (E_RNA)
where:
Base-Base interactions energy: -33.945
where: short stacking energy: -30.223
Base-Backbone interact. energy: -0.247
local terms energy: -72.203309
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -9.809
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: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -366.342833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.342833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.342833 (E_RNA)
where:
Base-Base interactions energy: -245.822
where: short stacking energy: -117.053
Base-Backbone interact. energy: -1.034
local terms energy: -119.487507
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -32.309
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: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -378.558911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.558911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.558911 (E_RNA)
where:
Base-Base interactions energy: -263.875
where: short stacking energy: -114.366
Base-Backbone interact. energy: -0.543
local terms energy: -114.140692
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -318.698867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.698867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.698867 (E_RNA)
where:
Base-Base interactions energy: -210.797
where: short stacking energy: -101.993
Base-Backbone interact. energy: -0.256
local terms energy: -107.645517
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -299.366064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.366064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.366064 (E_RNA)
where:
Base-Base interactions energy: -194.966
where: short stacking energy: -101.599
Base-Backbone interact. energy: -0.233
local terms energy: -104.167715
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -24.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -278.977617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.977617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.977617 (E_RNA)
where:
Base-Base interactions energy: -186.927
where: short stacking energy: -82.193
Base-Backbone interact. energy: -0.714
local terms energy: -91.336696
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -294.127955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.127955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.127955 (E_RNA)
where:
Base-Base interactions energy: -192.937
where: short stacking energy: -91.332
Base-Backbone interact. energy: -0.447
local terms energy: -100.743843
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -256.792303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.792303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.792303 (E_RNA)
where:
Base-Base interactions energy: -160.402
where: short stacking energy: -64.647
Base-Backbone interact. energy: 0.331
local terms energy: -96.721037
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -18.755
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: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -243.983122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.983122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.983122 (E_RNA)
where:
Base-Base interactions energy: -163.188
where: short stacking energy: -74.150
Base-Backbone interact. energy: -0.429
local terms energy: -80.366445
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -114.831388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.831388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.831388 (E_RNA)
where:
Base-Base interactions energy: -39.179
where: short stacking energy: -39.349
Base-Backbone interact. energy: -0.521
local terms energy: -75.131324
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -23.793
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: 1.019
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: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -114.217575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.217575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.217575 (E_RNA)
where:
Base-Base interactions energy: -39.073
where: short stacking energy: -37.006
Base-Backbone interact. energy: -0.342
local terms energy: -74.803218
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -29.690
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: 1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -370.817217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.817217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.817217 (E_RNA)
where:
Base-Base interactions energy: -247.282
where: short stacking energy: -113.734
Base-Backbone interact. energy: -0.687
local terms energy: -122.848809
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -34.749
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: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -381.418738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.418738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.418738 (E_RNA)
where:
Base-Base interactions energy: -256.696
where: short stacking energy: -106.061
Base-Backbone interact. energy: -0.072
local terms energy: -124.651073
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -28.450
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -30.605
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: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -316.210795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.210795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.210795 (E_RNA)
where:
Base-Base interactions energy: -208.665
where: short stacking energy: -96.735
Base-Backbone interact. energy: -0.347
local terms energy: -107.199256
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -300.269744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.269744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.269744 (E_RNA)
where:
Base-Base interactions energy: -178.731
where: short stacking energy: -86.099
Base-Backbone interact. energy: -0.419
local terms energy: -121.120186
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -26.101
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: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -277.874668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.874668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.874668 (E_RNA)
where:
Base-Base interactions energy: -174.362
where: short stacking energy: -87.357
Base-Backbone interact. energy: -0.156
local terms energy: -103.357298
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -274.821641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.821641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.821641 (E_RNA)
where:
Base-Base interactions energy: -186.761
where: short stacking energy: -82.449
Base-Backbone interact. energy: -0.211
local terms energy: -87.849117
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -248.479054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.479054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.479054 (E_RNA)
where:
Base-Base interactions energy: -154.642
where: short stacking energy: -67.843
Base-Backbone interact. energy: 1.892
local terms energy: -95.728878
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -25.581
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -10.341
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: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -241.464700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.464700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.464700 (E_RNA)
where:
Base-Base interactions energy: -151.922
where: short stacking energy: -56.641
Base-Backbone interact. energy: -0.356
local terms energy: -89.187181
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -124.961449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.961449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.961449 (E_RNA)
where:
Base-Base interactions energy: -50.628
where: short stacking energy: -40.643
Base-Backbone interact. energy: -0.270
local terms energy: -74.063578
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -114.345121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.345121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.345121 (E_RNA)
where:
Base-Base interactions energy: -46.621
where: short stacking energy: -35.613
Base-Backbone interact. energy: -0.520
local terms energy: -67.203518
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -383.597744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.597744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.597744 (E_RNA)
where:
Base-Base interactions energy: -259.587
where: short stacking energy: -108.404
Base-Backbone interact. energy: -0.864
local terms energy: -123.146938
where:
bonds (distance) C4'-P energy: -26.339
bonds (distance) P-C4' energy: -25.583
flat angles C4'-P-C4' energy: -26.262
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -358.031635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.031635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.031635 (E_RNA)
where:
Base-Base interactions energy: -236.234
where: short stacking energy: -109.436
Base-Backbone interact. energy: -0.638
local terms energy: -121.159689
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -29.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -286.657027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.657027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.657027 (E_RNA)
where:
Base-Base interactions energy: -185.442
where: short stacking energy: -92.468
Base-Backbone interact. energy: 0.057
local terms energy: -101.272309
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -25.135
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: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -304.290339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.290339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.290339 (E_RNA)
where:
Base-Base interactions energy: -194.173
where: short stacking energy: -94.536
Base-Backbone interact. energy: 0.066
local terms energy: -110.183279
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -301.430785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.430785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.430785 (E_RNA)
where:
Base-Base interactions energy: -192.614
where: short stacking energy: -87.620
Base-Backbone interact. energy: -0.242
local terms energy: -108.575218
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -21.682
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: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -286.357077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.357077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.357077 (E_RNA)
where:
Base-Base interactions energy: -192.358
where: short stacking energy: -85.160
Base-Backbone interact. energy: -0.102
local terms energy: -93.897082
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -252.287154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.287154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.287154 (E_RNA)
where:
Base-Base interactions energy: -147.122
where: short stacking energy: -69.293
Base-Backbone interact. energy: 0.260
local terms energy: -105.424913
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -282.610059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.610059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.610059 (E_RNA)
where:
Base-Base interactions energy: -159.554
where: short stacking energy: -75.870
Base-Backbone interact. energy: -0.435
local terms energy: -122.621839
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -26.458
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -23.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -128.596437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.596437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.596437 (E_RNA)
where:
Base-Base interactions energy: -48.357
where: short stacking energy: -32.780
Base-Backbone interact. energy: -0.810
local terms energy: -79.429624
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -11.835
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: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -106.879257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.879257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.879257 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -33.654
Base-Backbone interact. energy: -0.674
local terms energy: -72.951288
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -15.090
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: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -392.279891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.279891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.279891 (E_RNA)
where:
Base-Base interactions energy: -266.970
where: short stacking energy: -112.451
Base-Backbone interact. energy: -1.015
local terms energy: -124.294704
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -30.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -351.897848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.897848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.897848 (E_RNA)
where:
Base-Base interactions energy: -225.379
where: short stacking energy: -99.698
Base-Backbone interact. energy: -0.175
local terms energy: -126.343797
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -34.875
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: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -295.268228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.268228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.268228 (E_RNA)
where:
Base-Base interactions energy: -178.893
where: short stacking energy: -92.686
Base-Backbone interact. energy: 1.458
local terms energy: -117.833457
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -26.687
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -26.885
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: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -300.787094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.787094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.787094 (E_RNA)
where:
Base-Base interactions energy: -202.804
where: short stacking energy: -84.600
Base-Backbone interact. energy: 0.286
local terms energy: -98.269196
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -24.679
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: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -291.622963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.622963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.622963 (E_RNA)
where:
Base-Base interactions energy: -192.471
where: short stacking energy: -86.219
Base-Backbone interact. energy: -0.806
local terms energy: -98.345979
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -278.052837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.052837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.052837 (E_RNA)
where:
Base-Base interactions energy: -179.573
where: short stacking energy: -82.310
Base-Backbone interact. energy: -0.345
local terms energy: -98.134957
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -243.730140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.730140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.730140 (E_RNA)
where:
Base-Base interactions energy: -152.565
where: short stacking energy: -68.337
Base-Backbone interact. energy: 0.296
local terms energy: -91.461554
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -245.016453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.016453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.016453 (E_RNA)
where:
Base-Base interactions energy: -155.036
where: short stacking energy: -74.171
Base-Backbone interact. energy: -1.468
local terms energy: -88.511773
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -11.525
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: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -120.921061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.921061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.921061 (E_RNA)
where:
Base-Base interactions energy: -54.356
where: short stacking energy: -24.886
Base-Backbone interact. energy: -0.626
local terms energy: -65.938327
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -112.433474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.433474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.433474 (E_RNA)
where:
Base-Base interactions energy: -40.807
where: short stacking energy: -35.515
Base-Backbone interact. energy: -0.295
local terms energy: -71.331644
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: 0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -377.737315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.737315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.737315 (E_RNA)
where:
Base-Base interactions energy: -249.846
where: short stacking energy: -116.645
Base-Backbone interact. energy: -0.604
local terms energy: -127.287062
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -36.956
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -376.097666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.097666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.097666 (E_RNA)
where:
Base-Base interactions energy: -257.098
where: short stacking energy: -103.430
Base-Backbone interact. energy: -1.475
local terms energy: -117.524553
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -27.488
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: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -325.628286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.628286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.628286 (E_RNA)
where:
Base-Base interactions energy: -213.174
where: short stacking energy: -99.505
Base-Backbone interact. energy: -0.049
local terms energy: -112.405884
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -26.226
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: -25.697
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: 4, replica: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -286.840932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.840932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.840932 (E_RNA)
where:
Base-Base interactions energy: -182.119
where: short stacking energy: -90.789
Base-Backbone interact. energy: -0.059
local terms energy: -104.663302
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -301.027611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.027611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.027611 (E_RNA)
where:
Base-Base interactions energy: -190.266
where: short stacking energy: -85.590
Base-Backbone interact. energy: -1.403
local terms energy: -109.357947
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -274.104466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.104466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.104466 (E_RNA)
where:
Base-Base interactions energy: -178.364
where: short stacking energy: -76.176
Base-Backbone interact. energy: -0.208
local terms energy: -95.532627
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -241.992029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.992029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.992029 (E_RNA)
where:
Base-Base interactions energy: -152.559
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.300
local terms energy: -89.132736
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -264.712667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.712667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.712667 (E_RNA)
where:
Base-Base interactions energy: -179.811
where: short stacking energy: -80.956
Base-Backbone interact. energy: -0.244
local terms energy: -84.657730
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -115.185289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.185289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.185289 (E_RNA)
where:
Base-Base interactions energy: -37.958
where: short stacking energy: -37.958
Base-Backbone interact. energy: -0.177
local terms energy: -77.050633
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -16.534
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: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -112.751491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.751491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.751491 (E_RNA)
where:
Base-Base interactions energy: -39.302
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.190
local terms energy: -73.259578
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -5.485
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: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -373.852680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.852680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.852680 (E_RNA)
where:
Base-Base interactions energy: -246.367
where: short stacking energy: -121.557
Base-Backbone interact. energy: -0.262
local terms energy: -127.223250
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -35.098
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: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -383.881756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.881756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.881756 (E_RNA)
where:
Base-Base interactions energy: -272.212
where: short stacking energy: -106.184
Base-Backbone interact. energy: -0.209
local terms energy: -111.461534
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -23.808
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -27.179
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: 249
Temperature: 1.000000
Total energy: -313.308950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.308950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.308950 (E_RNA)
where:
Base-Base interactions energy: -199.244
where: short stacking energy: -91.931
Base-Backbone interact. energy: 0.293
local terms energy: -114.358206
where:
bonds (distance) C4'-P energy: -27.469
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -22.697
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: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -312.046182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.046182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.046182 (E_RNA)
where:
Base-Base interactions energy: -201.445
where: short stacking energy: -94.337
Base-Backbone interact. energy: -0.092
local terms energy: -110.508879
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -268.066199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.066199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.066199 (E_RNA)
where:
Base-Base interactions energy: -161.112
where: short stacking energy: -78.910
Base-Backbone interact. energy: -0.023
local terms energy: -106.931167
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -291.013121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.013121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.013121 (E_RNA)
where:
Base-Base interactions energy: -190.438
where: short stacking energy: -79.001
Base-Backbone interact. energy: -0.513
local terms energy: -100.062708
where:
bonds (distance) C4'-P energy: -23.995
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -231.887276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.887276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.887276 (E_RNA)
where:
Base-Base interactions energy: -144.316
where: short stacking energy: -55.844
Base-Backbone interact. energy: -0.406
local terms energy: -87.164932
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -26.415
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -254.112922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.112922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.112922 (E_RNA)
where:
Base-Base interactions energy: -164.409
where: short stacking energy: -69.666
Base-Backbone interact. energy: -0.428
local terms energy: -89.275650
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -13.456
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: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -137.848439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.848439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.848439 (E_RNA)
where:
Base-Base interactions energy: -58.118
where: short stacking energy: -41.308
Base-Backbone interact. energy: -0.455
local terms energy: -79.275094
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -11.558
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: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -117.886093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.886093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.886093 (E_RNA)
where:
Base-Base interactions energy: -56.667
where: short stacking energy: -38.964
Base-Backbone interact. energy: -0.538
local terms energy: -60.680493
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -5.680
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: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -393.449464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.449464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.449464 (E_RNA)
where:
Base-Base interactions energy: -274.655
where: short stacking energy: -117.714
Base-Backbone interact. energy: -0.974
local terms energy: -117.820567
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -33.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -360.532996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.532996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.532996 (E_RNA)
where:
Base-Base interactions energy: -230.815
where: short stacking energy: -105.884
Base-Backbone interact. energy: -0.135
local terms energy: -129.582626
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -28.780
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -32.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -317.889696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.889696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.889696 (E_RNA)
where:
Base-Base interactions energy: -195.919
where: short stacking energy: -90.582
Base-Backbone interact. energy: -1.203
local terms energy: -120.767806
where:
bonds (distance) C4'-P energy: -24.322
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -30.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -317.156461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.156461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.156461 (E_RNA)
where:
Base-Base interactions energy: -207.565
where: short stacking energy: -93.364
Base-Backbone interact. energy: -0.054
local terms energy: -109.537702
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -28.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -291.847636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.847636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.847636 (E_RNA)
where:
Base-Base interactions energy: -190.526
where: short stacking energy: -79.840
Base-Backbone interact. energy: -0.278
local terms energy: -101.043564
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -265.943983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.943983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.943983 (E_RNA)
where:
Base-Base interactions energy: -169.606
where: short stacking energy: -81.521
Base-Backbone interact. energy: -0.323
local terms energy: -96.015545
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -24.484
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: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -251.323986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.323986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.323986 (E_RNA)
where:
Base-Base interactions energy: -152.389
where: short stacking energy: -78.828
Base-Backbone interact. energy: -0.245
local terms energy: -98.690338
where:
bonds (distance) C4'-P energy: -25.610
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -250.054918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.054918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.054918 (E_RNA)
where:
Base-Base interactions energy: -161.547
where: short stacking energy: -73.950
Base-Backbone interact. energy: -0.479
local terms energy: -88.029349
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -12.321
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: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -134.404213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.404213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.404213 (E_RNA)
where:
Base-Base interactions energy: -52.748
where: short stacking energy: -43.257
Base-Backbone interact. energy: -0.398
local terms energy: -81.258030
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -6.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -108.042613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.042613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.042613 (E_RNA)
where:
Base-Base interactions energy: -30.924
where: short stacking energy: -30.196
Base-Backbone interact. energy: -0.831
local terms energy: -76.288099
where:
bonds (distance) C4'-P energy: -26.076
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -391.818332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.818332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.818332 (E_RNA)
where:
Base-Base interactions energy: -274.073
where: short stacking energy: -106.775
Base-Backbone interact. energy: 0.035
local terms energy: -117.780694
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -24.090
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: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -354.189216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.189216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.189216 (E_RNA)
where:
Base-Base interactions energy: -240.870
where: short stacking energy: -105.102
Base-Backbone interact. energy: -0.220
local terms energy: -113.098592
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -26.022
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -25.141
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: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -323.422323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.422323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.422323 (E_RNA)
where:
Base-Base interactions energy: -207.053
where: short stacking energy: -98.046
Base-Backbone interact. energy: -0.979
local terms energy: -115.390731
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -25.646
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -21.793
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: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -314.060998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.060998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.060998 (E_RNA)
where:
Base-Base interactions energy: -203.364
where: short stacking energy: -86.561
Base-Backbone interact. energy: -1.664
local terms energy: -109.033184
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -289.054832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.054832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.054832 (E_RNA)
where:
Base-Base interactions energy: -191.719
where: short stacking energy: -96.370
Base-Backbone interact. energy: -1.040
local terms energy: -96.295485
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -22.149
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -27.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -270.093999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.093999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.093999 (E_RNA)
where:
Base-Base interactions energy: -164.146
where: short stacking energy: -81.779
Base-Backbone interact. energy: -0.149
local terms energy: -105.799429
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -245.538669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.538669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.538669 (E_RNA)
where:
Base-Base interactions energy: -145.659
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.656
local terms energy: -99.223836
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -13.617
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: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -237.407207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.407207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.407207 (E_RNA)
where:
Base-Base interactions energy: -146.861
where: short stacking energy: -64.856
Base-Backbone interact. energy: -0.760
local terms energy: -89.786521
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -16.542
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: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -150.541483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.541483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.541483 (E_RNA)
where:
Base-Base interactions energy: -70.561
where: short stacking energy: -39.292
Base-Backbone interact. energy: -0.414
local terms energy: -79.566948
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -0.831
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: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -110.490128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.490128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.490128 (E_RNA)
where:
Base-Base interactions energy: -39.461
where: short stacking energy: -31.710
Base-Backbone interact. energy: -0.228
local terms energy: -70.801354
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: 3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -357.523399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.523399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.523399 (E_RNA)
where:
Base-Base interactions energy: -237.987
where: short stacking energy: -100.248
Base-Backbone interact. energy: -0.210
local terms energy: -119.326631
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -25.979
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -393.601540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.601540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.601540 (E_RNA)
where:
Base-Base interactions energy: -267.629
where: short stacking energy: -113.127
Base-Backbone interact. energy: -0.684
local terms energy: -125.288675
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -28.088
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -28.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -327.899024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.899024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.899024 (E_RNA)
where:
Base-Base interactions energy: -223.911
where: short stacking energy: -96.761
Base-Backbone interact. energy: -0.874
local terms energy: -103.113653
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -24.780
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: 252
Temperature: 1.050000
Total energy: -300.855094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.855094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.855094 (E_RNA)
where:
Base-Base interactions energy: -190.977
where: short stacking energy: -89.179
Base-Backbone interact. energy: -0.797
local terms energy: -109.081346
where:
bonds (distance) C4'-P energy: -27.265
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -277.964349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.964349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.964349 (E_RNA)
where:
Base-Base interactions energy: -175.846
where: short stacking energy: -79.412
Base-Backbone interact. energy: -0.737
local terms energy: -101.380601
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -25.560
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -17.295
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: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -279.104467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.104467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.104467 (E_RNA)
where:
Base-Base interactions energy: -176.767
where: short stacking energy: -91.170
Base-Backbone interact. energy: -0.422
local terms energy: -101.914786
where:
bonds (distance) C4'-P energy: -22.929
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -19.542
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: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -242.677266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.677266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.677266 (E_RNA)
where:
Base-Base interactions energy: -144.111
where: short stacking energy: -67.226
Base-Backbone interact. energy: -1.318
local terms energy: -97.247913
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -234.545871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.545871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.545871 (E_RNA)
where:
Base-Base interactions energy: -143.075
where: short stacking energy: -67.138
Base-Backbone interact. energy: -0.397
local terms energy: -91.073918
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -119.393019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.393019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.393019 (E_RNA)
where:
Base-Base interactions energy: -61.968
where: short stacking energy: -33.860
Base-Backbone interact. energy: 0.177
local terms energy: -57.601654
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: 8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -121.096676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.096676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.096676 (E_RNA)
where:
Base-Base interactions energy: -58.756
where: short stacking energy: -29.407
Base-Backbone interact. energy: 3.046
local terms energy: -65.387402
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: 7.125
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: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -369.921978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.921978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.921978 (E_RNA)
where:
Base-Base interactions energy: -236.377
where: short stacking energy: -94.016
Base-Backbone interact. energy: 0.206
local terms energy: -133.750743
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -29.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -377.223830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.223830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.223830 (E_RNA)
where:
Base-Base interactions energy: -264.313
where: short stacking energy: -106.483
Base-Backbone interact. energy: -0.256
local terms energy: -112.654374
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -29.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -348.104228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.104228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.104228 (E_RNA)
where:
Base-Base interactions energy: -231.644
where: short stacking energy: -96.998
Base-Backbone interact. energy: -0.544
local terms energy: -115.916108
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -27.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -291.081342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.081342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.081342 (E_RNA)
where:
Base-Base interactions energy: -195.188
where: short stacking energy: -94.378
Base-Backbone interact. energy: -0.092
local terms energy: -95.800863
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -8.212
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: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -290.073308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.073308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.073308 (E_RNA)
where:
Base-Base interactions energy: -181.284
where: short stacking energy: -76.906
Base-Backbone interact. energy: -0.372
local terms energy: -108.417376
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -257.224070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.224070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.224070 (E_RNA)
where:
Base-Base interactions energy: -160.201
where: short stacking energy: -73.168
Base-Backbone interact. energy: -0.240
local terms energy: -96.782822
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -267.489820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.489820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.489820 (E_RNA)
where:
Base-Base interactions energy: -180.665
where: short stacking energy: -74.897
Base-Backbone interact. energy: -0.964
local terms energy: -85.860930
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -253.203805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.203805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.203805 (E_RNA)
where:
Base-Base interactions energy: -171.369
where: short stacking energy: -63.474
Base-Backbone interact. energy: -0.344
local terms energy: -81.491368
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -13.472
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: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -126.045414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.045414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.045414 (E_RNA)
where:
Base-Base interactions energy: -55.811
where: short stacking energy: -48.165
Base-Backbone interact. energy: -0.421
local terms energy: -69.813901
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: 1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -139.738021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.738021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.738021 (E_RNA)
where:
Base-Base interactions energy: -61.462
where: short stacking energy: -31.380
Base-Backbone interact. energy: -1.002
local terms energy: -77.274254
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -13.028
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: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -385.173264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.173264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.173264 (E_RNA)
where:
Base-Base interactions energy: -249.580
where: short stacking energy: -99.183
Base-Backbone interact. energy: -2.445
local terms energy: -133.148533
where:
bonds (distance) C4'-P energy: -26.925
bonds (distance) P-C4' energy: -27.407
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -33.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -345.163350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.163350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.163350 (E_RNA)
where:
Base-Base interactions energy: -221.509
where: short stacking energy: -102.818
Base-Backbone interact. energy: -0.027
local terms energy: -123.627867
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -27.959
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -30.931
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: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -348.992090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.992090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.992090 (E_RNA)
where:
Base-Base interactions energy: -228.088
where: short stacking energy: -102.919
Base-Backbone interact. energy: -2.737
local terms energy: -118.167041
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -27.953
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: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -315.225468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.225468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.225468 (E_RNA)
where:
Base-Base interactions energy: -195.714
where: short stacking energy: -98.078
Base-Backbone interact. energy: -0.452
local terms energy: -119.058883
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -33.859
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: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -293.083521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.083521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.083521 (E_RNA)
where:
Base-Base interactions energy: -192.791
where: short stacking energy: -89.741
Base-Backbone interact. energy: 1.342
local terms energy: -101.634690
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -274.459970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.459970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.459970 (E_RNA)
where:
Base-Base interactions energy: -171.440
where: short stacking energy: -82.207
Base-Backbone interact. energy: -0.256
local terms energy: -102.764078
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -16.972
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: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -261.566229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.566229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.566229 (E_RNA)
where:
Base-Base interactions energy: -155.185
where: short stacking energy: -71.951
Base-Backbone interact. energy: -0.033
local terms energy: -106.348574
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -27.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -253.564601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.564601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.564601 (E_RNA)
where:
Base-Base interactions energy: -161.396
where: short stacking energy: -74.086
Base-Backbone interact. energy: 0.626
local terms energy: -92.794709
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -16.292
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: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -125.241238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.241238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.241238 (E_RNA)
where:
Base-Base interactions energy: -44.055
where: short stacking energy: -39.636
Base-Backbone interact. energy: -0.394
local terms energy: -80.792726
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -141.600590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.600590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.600590 (E_RNA)
where:
Base-Base interactions energy: -78.474
where: short stacking energy: -36.386
Base-Backbone interact. energy: -0.467
local terms energy: -62.659809
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -386.665123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.665123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.665123 (E_RNA)
where:
Base-Base interactions energy: -273.779
where: short stacking energy: -113.832
Base-Backbone interact. energy: -0.508
local terms energy: -112.377756
where:
bonds (distance) C4'-P energy: -27.360
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -27.038
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: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -339.472112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.472112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.472112 (E_RNA)
where:
Base-Base interactions energy: -214.414
where: short stacking energy: -114.259
Base-Backbone interact. energy: -1.213
local terms energy: -123.844919
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -19.275
tors. eta vs tors. theta energy: -32.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -339.604644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.604644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.604644 (E_RNA)
where:
Base-Base interactions energy: -225.152
where: short stacking energy: -91.377
Base-Backbone interact. energy: -0.864
local terms energy: -113.588796
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -25.467
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -23.222
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: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -287.987775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.987775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.987775 (E_RNA)
where:
Base-Base interactions energy: -179.849
where: short stacking energy: -84.040
Base-Backbone interact. energy: -0.421
local terms energy: -107.718049
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -272.038816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.038816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.038816 (E_RNA)
where:
Base-Base interactions energy: -166.452
where: short stacking energy: -80.360
Base-Backbone interact. energy: -0.356
local terms energy: -105.230973
where:
bonds (distance) C4'-P energy: -21.918
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -273.121712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.121712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.121712 (E_RNA)
where:
Base-Base interactions energy: -164.420
where: short stacking energy: -88.245
Base-Backbone interact. energy: -0.434
local terms energy: -108.267245
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -24.418
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: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -278.267496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.267496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.267496 (E_RNA)
where:
Base-Base interactions energy: -184.737
where: short stacking energy: -74.683
Base-Backbone interact. energy: -0.183
local terms energy: -93.347364
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -14.856
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: 255
Temperature: 1.250000
Total energy: -223.692790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.692790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.692790 (E_RNA)
where:
Base-Base interactions energy: -150.632
where: short stacking energy: -53.227
Base-Backbone interact. energy: 0.577
local terms energy: -73.637732
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -120.602718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.602718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.602718 (E_RNA)
where:
Base-Base interactions energy: -42.044
where: short stacking energy: -40.773
Base-Backbone interact. energy: -0.572
local terms energy: -77.986825
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -150.838280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.838280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.838280 (E_RNA)
where:
Base-Base interactions energy: -73.408
where: short stacking energy: -42.295
Base-Backbone interact. energy: 1.331
local terms energy: -78.761704
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -14.371
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: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -388.008003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.008003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.008003 (E_RNA)
where:
Base-Base interactions energy: -268.063
where: short stacking energy: -103.714
Base-Backbone interact. energy: -0.122
local terms energy: -119.823808
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -336.432719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.432719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.432719 (E_RNA)
where:
Base-Base interactions energy: -212.101
where: short stacking energy: -96.680
Base-Backbone interact. energy: -0.079
local terms energy: -124.252130
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -21.998
tors. eta vs tors. theta energy: -28.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -338.905379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.905379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.905379 (E_RNA)
where:
Base-Base interactions energy: -220.088
where: short stacking energy: -101.194
Base-Backbone interact. energy: -0.070
local terms energy: -118.747098
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -21.110
tors. eta vs tors. theta energy: -32.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -307.727424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.727424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.727424 (E_RNA)
where:
Base-Base interactions energy: -193.536
where: short stacking energy: -97.814
Base-Backbone interact. energy: -0.019
local terms energy: -114.171954
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -34.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -304.887032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.887032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.887032 (E_RNA)
where:
Base-Base interactions energy: -197.157
where: short stacking energy: -99.048
Base-Backbone interact. energy: 0.033
local terms energy: -107.763421
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -29.355
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: 256
Temperature: 1.150000
Total energy: -265.350538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.350538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.350538 (E_RNA)
where:
Base-Base interactions energy: -170.454
where: short stacking energy: -75.187
Base-Backbone interact. energy: -0.285
local terms energy: -94.610635
where:
bonds (distance) C4'-P energy: -25.134
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -212.306253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.306253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.306253 (E_RNA)
where:
Base-Base interactions energy: -113.269
where: short stacking energy: -58.302
Base-Backbone interact. energy: 0.579
local terms energy: -99.615602
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -249.695404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.695404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.695404 (E_RNA)
where:
Base-Base interactions energy: -160.575
where: short stacking energy: -64.732
Base-Backbone interact. energy: 0.753
local terms energy: -89.873888
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -18.016
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: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -132.381487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.381487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.381487 (E_RNA)
where:
Base-Base interactions energy: -59.142
where: short stacking energy: -38.570
Base-Backbone interact. energy: -0.574
local terms energy: -72.665978
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -12.429
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: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -119.958436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.958436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.958436 (E_RNA)
where:
Base-Base interactions energy: -50.622
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.466
local terms energy: -68.870288
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: 2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -394.076707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.076707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.076707 (E_RNA)
where:
Base-Base interactions energy: -265.480
where: short stacking energy: -102.860
Base-Backbone interact. energy: -0.363
local terms energy: -128.233888
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -27.539
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: -24.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -351.090076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.090076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.090076 (E_RNA)
where:
Base-Base interactions energy: -236.540
where: short stacking energy: -108.754
Base-Backbone interact. energy: -0.510
local terms energy: -114.040060
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -28.017
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: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -318.119433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.119433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.119433 (E_RNA)
where:
Base-Base interactions energy: -211.169
where: short stacking energy: -101.220
Base-Backbone interact. energy: -0.065
local terms energy: -106.885035
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -26.979
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -301.710507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.710507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.710507 (E_RNA)
where:
Base-Base interactions energy: -189.290
where: short stacking energy: -78.631
Base-Backbone interact. energy: -0.323
local terms energy: -112.098261
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -23.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -280.920652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.920652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.920652 (E_RNA)
where:
Base-Base interactions energy: -172.441
where: short stacking energy: -81.146
Base-Backbone interact. energy: -0.029
local terms energy: -108.450498
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -24.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -272.998084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.998084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.998084 (E_RNA)
where:
Base-Base interactions energy: -175.996
where: short stacking energy: -81.054
Base-Backbone interact. energy: 1.053
local terms energy: -98.055869
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -256.106026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.106026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.106026 (E_RNA)
where:
Base-Base interactions energy: -154.074
where: short stacking energy: -75.247
Base-Backbone interact. energy: -0.336
local terms energy: -101.695454
where:
bonds (distance) C4'-P energy: -21.636
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -258.301862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.301862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.301862 (E_RNA)
where:
Base-Base interactions energy: -178.457
where: short stacking energy: -74.165
Base-Backbone interact. energy: -0.673
local terms energy: -79.171418
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -7.920
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: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -117.444371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.444371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.444371 (E_RNA)
where:
Base-Base interactions energy: -34.918
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.584
local terms energy: -81.942084
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -134.969833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.969833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.969833 (E_RNA)
where:
Base-Base interactions energy: -51.576
where: short stacking energy: -39.799
Base-Backbone interact. energy: -0.599
local terms energy: -82.794454
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -388.367641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.367641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.367641 (E_RNA)
where:
Base-Base interactions energy: -266.083
where: short stacking energy: -105.681
Base-Backbone interact. energy: -1.095
local terms energy: -121.189826
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -18.847
tors. eta vs tors. theta energy: -22.226
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: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -356.755946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.755946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.755946 (E_RNA)
where:
Base-Base interactions energy: -229.894
where: short stacking energy: -115.531
Base-Backbone interact. energy: 0.140
local terms energy: -127.001934
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -32.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -295.286812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.286812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.286812 (E_RNA)
where:
Base-Base interactions energy: -178.268
where: short stacking energy: -95.500
Base-Backbone interact. energy: 0.546
local terms energy: -117.565111
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -25.516
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -297.861129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.861129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.861129 (E_RNA)
where:
Base-Base interactions energy: -185.564
where: short stacking energy: -94.551
Base-Backbone interact. energy: -0.286
local terms energy: -112.011189
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -26.586
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: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -270.626604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.626604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.626604 (E_RNA)
where:
Base-Base interactions energy: -167.016
where: short stacking energy: -78.400
Base-Backbone interact. energy: -0.412
local terms energy: -103.198433
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -19.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -267.397901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.397901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.397901 (E_RNA)
where:
Base-Base interactions energy: -160.555
where: short stacking energy: -72.143
Base-Backbone interact. energy: -1.784
local terms energy: -105.058355
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -263.170761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.170761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.170761 (E_RNA)
where:
Base-Base interactions energy: -177.100
where: short stacking energy: -73.222
Base-Backbone interact. energy: -0.195
local terms energy: -85.875929
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -15.152
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: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -255.526222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.526222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.526222 (E_RNA)
where:
Base-Base interactions energy: -150.966
where: short stacking energy: -61.988
Base-Backbone interact. energy: -0.467
local terms energy: -104.093773
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -124.649719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.649719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.649719 (E_RNA)
where:
Base-Base interactions energy: -49.435
where: short stacking energy: -47.250
Base-Backbone interact. energy: 1.916
local terms energy: -77.129820
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -6.845
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: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -105.057743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.057743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.057743 (E_RNA)
where:
Base-Base interactions energy: -37.660
where: short stacking energy: -32.056
Base-Backbone interact. energy: 0.026
local terms energy: -67.424453
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -14.103
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: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -389.146845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.146845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.146845 (E_RNA)
where:
Base-Base interactions energy: -262.882
where: short stacking energy: -104.532
Base-Backbone interact. energy: -1.037
local terms energy: -125.227585
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -26.152
flat angles C4'-P-C4' energy: -28.294
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -26.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -332.960613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.960613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.960613 (E_RNA)
where:
Base-Base interactions energy: -209.425
where: short stacking energy: -114.010
Base-Backbone interact. energy: -0.034
local terms energy: -123.501558
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -27.201
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -32.057
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: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -342.182877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.182877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.182877 (E_RNA)
where:
Base-Base interactions energy: -218.797
where: short stacking energy: -108.853
Base-Backbone interact. energy: -0.010
local terms energy: -123.375240
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -27.205
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -33.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -313.711644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.711644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.711644 (E_RNA)
where:
Base-Base interactions energy: -200.853
where: short stacking energy: -108.134
Base-Backbone interact. energy: -0.635
local terms energy: -112.223439
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -31.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -277.784968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.784968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.784968 (E_RNA)
where:
Base-Base interactions energy: -171.090
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.536
local terms energy: -106.158431
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -26.343
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -269.829998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.829998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.829998 (E_RNA)
where:
Base-Base interactions energy: -178.061
where: short stacking energy: -68.815
Base-Backbone interact. energy: -1.161
local terms energy: -90.607958
where:
bonds (distance) C4'-P energy: -26.955
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -11.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -261.456721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.456721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.456721 (E_RNA)
where:
Base-Base interactions energy: -166.151
where: short stacking energy: -77.869
Base-Backbone interact. energy: -0.322
local terms energy: -94.983746
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -241.446748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.446748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.446748 (E_RNA)
where:
Base-Base interactions energy: -144.298
where: short stacking energy: -68.426
Base-Backbone interact. energy: 0.906
local terms energy: -98.055390
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -137.125750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.125750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.125750 (E_RNA)
where:
Base-Base interactions energy: -63.232
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.426
local terms energy: -73.468571
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -12.046
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: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -111.155482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.155482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.155482 (E_RNA)
where:
Base-Base interactions energy: -38.462
where: short stacking energy: -38.088
Base-Backbone interact. energy: 0.811
local terms energy: -73.505314
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -400.922517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.922517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.922517 (E_RNA)
where:
Base-Base interactions energy: -282.420
where: short stacking energy: -118.002
Base-Backbone interact. energy: 0.352
local terms energy: -118.854348
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: -28.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -333.312765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.312765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.312765 (E_RNA)
where:
Base-Base interactions energy: -218.666
where: short stacking energy: -103.300
Base-Backbone interact. energy: -0.727
local terms energy: -113.919712
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -26.695
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -27.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -311.133947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.133947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.133947 (E_RNA)
where:
Base-Base interactions energy: -192.046
where: short stacking energy: -98.965
Base-Backbone interact. energy: -0.721
local terms energy: -118.367085
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -27.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -325.810704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.810704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.810704 (E_RNA)
where:
Base-Base interactions energy: -214.744
where: short stacking energy: -88.424
Base-Backbone interact. energy: -0.280
local terms energy: -110.787338
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -24.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -291.083173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.083173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.083173 (E_RNA)
where:
Base-Base interactions energy: -189.782
where: short stacking energy: -87.450
Base-Backbone interact. energy: -0.306
local terms energy: -100.995926
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -22.971
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: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -283.770143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.770143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.770143 (E_RNA)
where:
Base-Base interactions energy: -174.944
where: short stacking energy: -81.366
Base-Backbone interact. energy: -0.361
local terms energy: -108.464863
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -25.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -280.308686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.308686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.308686 (E_RNA)
where:
Base-Base interactions energy: -167.558
where: short stacking energy: -86.647
Base-Backbone interact. energy: -0.029
local terms energy: -112.721798
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -25.263
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -21.166
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: 260
Temperature: 1.250000
Total energy: -231.352912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.352912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.352912 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.174
local terms energy: -87.213194
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -115.083550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.083550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.083550 (E_RNA)
where:
Base-Base interactions energy: -52.954
where: short stacking energy: -40.379
Base-Backbone interact. energy: -0.212
local terms energy: -61.917530
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -3.139
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -108.586138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.586138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.586138 (E_RNA)
where:
Base-Base interactions energy: -30.423
where: short stacking energy: -28.709
Base-Backbone interact. energy: -0.176
local terms energy: -77.986563
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -7.521
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -7.988
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: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -379.543568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.543568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.543568 (E_RNA)
where:
Base-Base interactions energy: -262.331
where: short stacking energy: -100.224
Base-Backbone interact. energy: -0.674
local terms energy: -116.538408
where:
bonds (distance) C4'-P energy: -26.165
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -18.847
tors. eta vs tors. theta energy: -22.222
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: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -326.666798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.666798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.666798 (E_RNA)
where:
Base-Base interactions energy: -207.872
where: short stacking energy: -105.192
Base-Backbone interact. energy: -0.020
local terms energy: -118.774306
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -29.388
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: 261
Temperature: 1.000000
Total energy: -309.837586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.837586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.837586 (E_RNA)
where:
Base-Base interactions energy: -195.844
where: short stacking energy: -84.144
Base-Backbone interact. energy: -1.021
local terms energy: -112.972785
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -24.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -303.199142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.199142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.199142 (E_RNA)
where:
Base-Base interactions energy: -203.988
where: short stacking energy: -87.360
Base-Backbone interact. energy: -0.630
local terms energy: -98.580741
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -273.767555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.767555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.767555 (E_RNA)
where:
Base-Base interactions energy: -165.727
where: short stacking energy: -78.791
Base-Backbone interact. energy: 0.129
local terms energy: -108.170166
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -29.012
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -285.097727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.097727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.097727 (E_RNA)
where:
Base-Base interactions energy: -181.166
where: short stacking energy: -90.068
Base-Backbone interact. energy: -0.194
local terms energy: -103.737977
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -26.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -259.086974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.086974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.086974 (E_RNA)
where:
Base-Base interactions energy: -157.097
where: short stacking energy: -76.037
Base-Backbone interact. energy: -0.127
local terms energy: -101.863515
where:
bonds (distance) C4'-P energy: -24.915
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -244.798310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.798310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.798310 (E_RNA)
where:
Base-Base interactions energy: -145.343
where: short stacking energy: -70.970
Base-Backbone interact. energy: -0.540
local terms energy: -98.914727
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -21.777
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -11.789
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: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -130.844060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.844060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.844060 (E_RNA)
where:
Base-Base interactions energy: -50.096
where: short stacking energy: -50.096
Base-Backbone interact. energy: -0.726
local terms energy: -80.022489
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -8.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -110.518600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.518600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.518600 (E_RNA)
where:
Base-Base interactions energy: -35.699
where: short stacking energy: -32.532
Base-Backbone interact. energy: -0.306
local terms energy: -74.513512
where:
bonds (distance) C4'-P energy: -26.561
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -6.184
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: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -381.902689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.902689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.902689 (E_RNA)
where:
Base-Base interactions energy: -268.099
where: short stacking energy: -101.272
Base-Backbone interact. energy: 0.397
local terms energy: -114.200804
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -25.680
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: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -313.702554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.702554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.702554 (E_RNA)
where:
Base-Base interactions energy: -209.863
where: short stacking energy: -94.717
Base-Backbone interact. energy: -0.194
local terms energy: -103.645607
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -334.599072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.599072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.599072 (E_RNA)
where:
Base-Base interactions energy: -217.306
where: short stacking energy: -99.949
Base-Backbone interact. energy: -0.555
local terms energy: -116.738365
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -25.685
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -24.067
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: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -323.436740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.436740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.436740 (E_RNA)
where:
Base-Base interactions energy: -202.077
where: short stacking energy: -98.217
Base-Backbone interact. energy: -0.044
local terms energy: -121.316701
where:
bonds (distance) C4'-P energy: -26.582
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -27.679
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -284.357324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.357324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.357324 (E_RNA)
where:
Base-Base interactions energy: -181.513
where: short stacking energy: -88.788
Base-Backbone interact. energy: -0.122
local terms energy: -102.722737
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -25.418
flat angles P-C4'-P energy: -16.269
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: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -276.886960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.886960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.886960 (E_RNA)
where:
Base-Base interactions energy: -178.521
where: short stacking energy: -84.006
Base-Backbone interact. energy: -0.911
local terms energy: -97.454627
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -270.251160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.251160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.251160 (E_RNA)
where:
Base-Base interactions energy: -168.127
where: short stacking energy: -84.416
Base-Backbone interact. energy: -0.736
local terms energy: -101.388364
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -24.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -255.266287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.266287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.266287 (E_RNA)
where:
Base-Base interactions energy: -154.420
where: short stacking energy: -63.985
Base-Backbone interact. energy: 1.428
local terms energy: -102.273890
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: -18.561
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: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -131.872484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.872484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.872484 (E_RNA)
where:
Base-Base interactions energy: -42.271
where: short stacking energy: -38.184
Base-Backbone interact. energy: -0.147
local terms energy: -89.454290
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -112.728641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.728641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.728641 (E_RNA)
where:
Base-Base interactions energy: -38.303
where: short stacking energy: -37.316
Base-Backbone interact. energy: -0.168
local terms energy: -74.257793
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -384.566752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.566752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.566752 (E_RNA)
where:
Base-Base interactions energy: -260.132
where: short stacking energy: -99.123
Base-Backbone interact. energy: 0.098
local terms energy: -124.533213
where:
bonds (distance) C4'-P energy: -29.298
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -27.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -330.347440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.347440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.347440 (E_RNA)
where:
Base-Base interactions energy: -225.033
where: short stacking energy: -87.144
Base-Backbone interact. energy: -0.674
local terms energy: -104.640964
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -314.715302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.715302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.715302 (E_RNA)
where:
Base-Base interactions energy: -209.203
where: short stacking energy: -100.032
Base-Backbone interact. energy: -0.715
local terms energy: -104.797137
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -27.266
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: 263
Temperature: 1.050000
Total energy: -310.746670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.746670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.746670 (E_RNA)
where:
Base-Base interactions energy: -193.192
where: short stacking energy: -92.115
Base-Backbone interact. energy: -0.203
local terms energy: -117.351437
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -21.640
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: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -301.683798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.683798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.683798 (E_RNA)
where:
Base-Base interactions energy: -193.047
where: short stacking energy: -82.033
Base-Backbone interact. energy: -0.125
local terms energy: -108.511917
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -266.858651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.858651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.858651 (E_RNA)
where:
Base-Base interactions energy: -161.657
where: short stacking energy: -75.988
Base-Backbone interact. energy: -0.122
local terms energy: -105.080169
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -241.651617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.651617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.651617 (E_RNA)
where:
Base-Base interactions energy: -139.276
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.309
local terms energy: -102.067211
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -27.311
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -228.852861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.852861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.852861 (E_RNA)
where:
Base-Base interactions energy: -131.989
where: short stacking energy: -58.439
Base-Backbone interact. energy: -1.243
local terms energy: -95.620269
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: -9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -111.334243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.334243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.334243 (E_RNA)
where:
Base-Base interactions energy: -41.056
where: short stacking energy: -40.380
Base-Backbone interact. energy: -0.342
local terms energy: -69.936962
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -120.288553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.288553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.288553 (E_RNA)
where:
Base-Base interactions energy: -68.321
where: short stacking energy: -33.313
Base-Backbone interact. energy: 0.414
local terms energy: -52.381570
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: 9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -386.178072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.178072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.178072 (E_RNA)
where:
Base-Base interactions energy: -268.443
where: short stacking energy: -104.871
Base-Backbone interact. energy: -0.657
local terms energy: -117.078194
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -28.742
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -27.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -341.087004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.087004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.087004 (E_RNA)
where:
Base-Base interactions energy: -229.743
where: short stacking energy: -108.160
Base-Backbone interact. energy: -0.879
local terms energy: -110.464471
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -28.313
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -331.500464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.500464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.500464 (E_RNA)
where:
Base-Base interactions energy: -207.800
where: short stacking energy: -102.420
Base-Backbone interact. energy: 0.242
local terms energy: -123.942479
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: -32.059
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: 264
Temperature: 1.050000
Total energy: -329.387881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.387881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.387881 (E_RNA)
where:
Base-Base interactions energy: -208.315
where: short stacking energy: -102.566
Base-Backbone interact. energy: -0.690
local terms energy: -120.383546
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -26.542
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -29.494
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: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -277.459414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.459414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.459414 (E_RNA)
where:
Base-Base interactions energy: -169.941
where: short stacking energy: -87.416
Base-Backbone interact. energy: -0.182
local terms energy: -107.336522
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -20.030
tors. eta vs tors. theta energy: -21.582
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: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -283.945826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.945826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.945826 (E_RNA)
where:
Base-Base interactions energy: -187.215
where: short stacking energy: -79.722
Base-Backbone interact. energy: -0.355
local terms energy: -96.375087
where:
bonds (distance) C4'-P energy: -22.571
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -12.003
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: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -274.481955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.481955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.481955 (E_RNA)
where:
Base-Base interactions energy: -172.993
where: short stacking energy: -85.037
Base-Backbone interact. energy: 1.335
local terms energy: -102.824021
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -239.110917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.110917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.110917 (E_RNA)
where:
Base-Base interactions energy: -145.546
where: short stacking energy: -69.922
Base-Backbone interact. energy: -0.256
local terms energy: -93.309054
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -128.386927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.386927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.386927 (E_RNA)
where:
Base-Base interactions energy: -52.979
where: short stacking energy: -52.503
Base-Backbone interact. energy: -0.762
local terms energy: -74.646592
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -8.996
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: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -113.812770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.812770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.812770 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -38.738
Base-Backbone interact. energy: -0.241
local terms energy: -74.834194
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -395.261981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.261981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.261981 (E_RNA)
where:
Base-Base interactions energy: -274.157
where: short stacking energy: -112.656
Base-Backbone interact. energy: -0.714
local terms energy: -120.390681
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -28.559
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -31.157
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: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -326.825294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.825294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.825294 (E_RNA)
where:
Base-Base interactions energy: -207.719
where: short stacking energy: -102.743
Base-Backbone interact. energy: -0.103
local terms energy: -119.003471
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -27.349
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -27.704
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: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -320.489884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.489884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.489884 (E_RNA)
where:
Base-Base interactions energy: -212.960
where: short stacking energy: -90.133
Base-Backbone interact. energy: -0.470
local terms energy: -107.059883
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -20.449
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -304.146415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.146415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.146415 (E_RNA)
where:
Base-Base interactions energy: -194.594
where: short stacking energy: -86.470
Base-Backbone interact. energy: -0.571
local terms energy: -108.981163
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -287.527427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.527427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.527427 (E_RNA)
where:
Base-Base interactions energy: -188.603
where: short stacking energy: -90.235
Base-Backbone interact. energy: -0.372
local terms energy: -98.552194
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -275.948803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.948803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.948803 (E_RNA)
where:
Base-Base interactions energy: -178.234
where: short stacking energy: -73.911
Base-Backbone interact. energy: 0.242
local terms energy: -97.956089
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -257.043067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.043067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.043067 (E_RNA)
where:
Base-Base interactions energy: -165.101
where: short stacking energy: -69.278
Base-Backbone interact. energy: -0.058
local terms energy: -91.883905
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -232.644678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.644678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.644678 (E_RNA)
where:
Base-Base interactions energy: -153.407
where: short stacking energy: -81.510
Base-Backbone interact. energy: -0.198
local terms energy: -79.039465
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -16.768
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: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -115.081207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.081207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.081207 (E_RNA)
where:
Base-Base interactions energy: -45.048
where: short stacking energy: -31.870
Base-Backbone interact. energy: -0.334
local terms energy: -69.699286
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: 2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -110.331830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.331830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.331830 (E_RNA)
where:
Base-Base interactions energy: -36.479
where: short stacking energy: -35.406
Base-Backbone interact. energy: -0.078
local terms energy: -73.774621
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -392.823992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.823992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.823992 (E_RNA)
where:
Base-Base interactions energy: -274.937
where: short stacking energy: -107.250
Base-Backbone interact. energy: -0.213
local terms energy: -117.673871
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -28.127
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: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -329.120458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.120458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.120458 (E_RNA)
where:
Base-Base interactions energy: -211.147
where: short stacking energy: -105.981
Base-Backbone interact. energy: 0.029
local terms energy: -118.002184
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -23.752
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: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -318.621985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.621985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.621985 (E_RNA)
where:
Base-Base interactions energy: -208.272
where: short stacking energy: -93.857
Base-Backbone interact. energy: -0.352
local terms energy: -109.998273
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -27.343
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -23.667
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: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -302.081376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.081376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.081376 (E_RNA)
where:
Base-Base interactions energy: -194.990
where: short stacking energy: -95.919
Base-Backbone interact. energy: -0.050
local terms energy: -107.041378
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -275.581680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.581680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.581680 (E_RNA)
where:
Base-Base interactions energy: -180.643
where: short stacking energy: -69.624
Base-Backbone interact. energy: -1.383
local terms energy: -93.555360
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -16.050
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: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -276.247815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.247815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.247815 (E_RNA)
where:
Base-Base interactions energy: -183.520
where: short stacking energy: -85.926
Base-Backbone interact. energy: -0.052
local terms energy: -92.675539
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -255.524291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.524291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.524291 (E_RNA)
where:
Base-Base interactions energy: -152.663
where: short stacking energy: -63.893
Base-Backbone interact. energy: 0.066
local terms energy: -102.926864
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -221.491946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.491946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.491946 (E_RNA)
where:
Base-Base interactions energy: -136.358
where: short stacking energy: -51.785
Base-Backbone interact. energy: -0.159
local terms energy: -84.974108
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -11.103
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: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -134.908631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.908631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.908631 (E_RNA)
where:
Base-Base interactions energy: -71.800
where: short stacking energy: -45.580
Base-Backbone interact. energy: -0.593
local terms energy: -62.515715
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -123.717957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.717957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.717957 (E_RNA)
where:
Base-Base interactions energy: -36.948
where: short stacking energy: -35.839
Base-Backbone interact. energy: -0.125
local terms energy: -86.644824
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -27.735
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -390.821960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.821960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.821960 (E_RNA)
where:
Base-Base interactions energy: -277.688
where: short stacking energy: -112.575
Base-Backbone interact. energy: -0.135
local terms energy: -112.998521
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -28.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -321.273211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.273211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.273211 (E_RNA)
where:
Base-Base interactions energy: -205.240
where: short stacking energy: -96.875
Base-Backbone interact. energy: -0.026
local terms energy: -116.006881
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -26.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -352.082008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.082008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.082008 (E_RNA)
where:
Base-Base interactions energy: -231.068
where: short stacking energy: -93.978
Base-Backbone interact. energy: -0.050
local terms energy: -120.963134
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -25.831
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -28.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -314.628217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.628217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.628217 (E_RNA)
where:
Base-Base interactions energy: -193.109
where: short stacking energy: -94.746
Base-Backbone interact. energy: -0.049
local terms energy: -121.470072
where:
bonds (distance) C4'-P energy: -26.231
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -26.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -281.419247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.419247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.419247 (E_RNA)
where:
Base-Base interactions energy: -177.868
where: short stacking energy: -89.102
Base-Backbone interact. energy: -1.125
local terms energy: -102.425826
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -18.000
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: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -280.462169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.462169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.462169 (E_RNA)
where:
Base-Base interactions energy: -182.476
where: short stacking energy: -74.253
Base-Backbone interact. energy: -0.218
local terms energy: -97.767611
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -254.670344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.670344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.670344 (E_RNA)
where:
Base-Base interactions energy: -162.482
where: short stacking energy: -84.287
Base-Backbone interact. energy: -0.405
local terms energy: -91.783204
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -16.722
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: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -212.726929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.726929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.726929 (E_RNA)
where:
Base-Base interactions energy: -131.538
where: short stacking energy: -57.641
Base-Backbone interact. energy: 0.249
local terms energy: -81.437937
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -25.626
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -7.482
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: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -135.709853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.709853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.709853 (E_RNA)
where:
Base-Base interactions energy: -58.590
where: short stacking energy: -56.507
Base-Backbone interact. energy: -0.264
local terms energy: -76.855896
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -12.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -117.979361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.979361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.979361 (E_RNA)
where:
Base-Base interactions energy: -51.913
where: short stacking energy: -25.118
Base-Backbone interact. energy: 0.398
local terms energy: -66.464753
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: 7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -398.628507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.628507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.628507 (E_RNA)
where:
Base-Base interactions energy: -276.274
where: short stacking energy: -106.973
Base-Backbone interact. energy: -1.139
local terms energy: -121.215201
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -28.079
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -24.720
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: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -329.560833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.560833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.560833 (E_RNA)
where:
Base-Base interactions energy: -208.001
where: short stacking energy: -101.802
Base-Backbone interact. energy: -0.221
local terms energy: -121.338823
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -28.231
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -28.873
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: 268
Temperature: 1.000000
Total energy: -322.625832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.625832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.625832 (E_RNA)
where:
Base-Base interactions energy: -213.430
where: short stacking energy: -88.160
Base-Backbone interact. energy: 0.123
local terms energy: -109.319572
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -27.479
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -23.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -290.933062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.933062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.933062 (E_RNA)
where:
Base-Base interactions energy: -190.358
where: short stacking energy: -87.272
Base-Backbone interact. energy: -0.350
local terms energy: -100.225194
where:
bonds (distance) C4'-P energy: -26.624
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -14.522
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: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -311.971199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.971199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.971199 (E_RNA)
where:
Base-Base interactions energy: -199.450
where: short stacking energy: -99.926
Base-Backbone interact. energy: -0.026
local terms energy: -112.495243
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -29.911
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -259.872734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.872734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.872734 (E_RNA)
where:
Base-Base interactions energy: -178.305
where: short stacking energy: -78.002
Base-Backbone interact. energy: -0.491
local terms energy: -81.077351
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -14.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -250.648860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.648860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.648860 (E_RNA)
where:
Base-Base interactions energy: -148.227
where: short stacking energy: -67.971
Base-Backbone interact. energy: 0.650
local terms energy: -103.071901
where:
bonds (distance) C4'-P energy: -28.084
bonds (distance) P-C4' energy: -25.214
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -13.542
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: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -224.933585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.933585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.933585 (E_RNA)
where:
Base-Base interactions energy: -140.346
where: short stacking energy: -55.312
Base-Backbone interact. energy: -0.605
local terms energy: -83.982607
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -122.014615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.014615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.014615 (E_RNA)
where:
Base-Base interactions energy: -41.877
where: short stacking energy: -39.208
Base-Backbone interact. energy: 1.073
local terms energy: -81.210533
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -24.167
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -2.908
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: 10, replica: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -121.393150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.393150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.393150 (E_RNA)
where:
Base-Base interactions energy: -49.355
where: short stacking energy: -24.280
Base-Backbone interact. energy: -0.328
local terms energy: -71.709842
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -3.577
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: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -396.601732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.601732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.601732 (E_RNA)
where:
Base-Base interactions energy: -282.111
where: short stacking energy: -103.796
Base-Backbone interact. energy: -1.538
local terms energy: -112.952530
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -29.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -330.203706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.203706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.203706 (E_RNA)
where:
Base-Base interactions energy: -214.146
where: short stacking energy: -103.972
Base-Backbone interact. energy: -0.158
local terms energy: -115.899905
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -26.070
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -27.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -312.658526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.658526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.658526 (E_RNA)
where:
Base-Base interactions energy: -198.478
where: short stacking energy: -93.626
Base-Backbone interact. energy: -0.352
local terms energy: -113.828937
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -298.590913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.590913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.590913 (E_RNA)
where:
Base-Base interactions energy: -187.400
where: short stacking energy: -83.981
Base-Backbone interact. energy: -0.251
local terms energy: -110.940294
where:
bonds (distance) C4'-P energy: -24.921
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -292.533485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.533485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.533485 (E_RNA)
where:
Base-Base interactions energy: -187.634
where: short stacking energy: -83.256
Base-Backbone interact. energy: -0.145
local terms energy: -104.754438
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -282.780736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.780736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.780736 (E_RNA)
where:
Base-Base interactions energy: -175.464
where: short stacking energy: -77.464
Base-Backbone interact. energy: 0.001
local terms energy: -107.317446
where:
bonds (distance) C4'-P energy: -26.231
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -280.230938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.230938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.230938 (E_RNA)
where:
Base-Base interactions energy: -184.632
where: short stacking energy: -93.922
Base-Backbone interact. energy: -0.295
local terms energy: -95.304371
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -23.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -251.859220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.859220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.859220 (E_RNA)
where:
Base-Base interactions energy: -156.370
where: short stacking energy: -64.318
Base-Backbone interact. energy: -1.429
local terms energy: -94.060355
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -115.750709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.750709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.750709 (E_RNA)
where:
Base-Base interactions energy: -42.513
where: short stacking energy: -20.037
Base-Backbone interact. energy: 0.179
local terms energy: -73.415909
where:
bonds (distance) C4'-P energy: -25.432
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: 3.700
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: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -108.152883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.152883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.152883 (E_RNA)
where:
Base-Base interactions energy: -24.471
where: short stacking energy: -24.108
Base-Backbone interact. energy: -0.128
local terms energy: -83.554353
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -26.348
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: 2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -393.955477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.955477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.955477 (E_RNA)
where:
Base-Base interactions energy: -278.053
where: short stacking energy: -116.214
Base-Backbone interact. energy: 0.287
local terms energy: -116.189526
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -28.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -311.731858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.731858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.731858 (E_RNA)
where:
Base-Base interactions energy: -197.897
where: short stacking energy: -85.635
Base-Backbone interact. energy: -0.173
local terms energy: -113.662766
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -21.985
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -314.452660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.452660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.452660 (E_RNA)
where:
Base-Base interactions energy: -203.321
where: short stacking energy: -93.754
Base-Backbone interact. energy: 0.319
local terms energy: -111.450372
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -23.908
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: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -302.765683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.765683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.765683 (E_RNA)
where:
Base-Base interactions energy: -189.931
where: short stacking energy: -95.948
Base-Backbone interact. energy: -1.091
local terms energy: -111.743483
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -27.002
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: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -281.773940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.773940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.773940 (E_RNA)
where:
Base-Base interactions energy: -164.307
where: short stacking energy: -81.273
Base-Backbone interact. energy: -0.316
local terms energy: -117.151087
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -25.446
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: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -293.376654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.376654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.376654 (E_RNA)
where:
Base-Base interactions energy: -187.945
where: short stacking energy: -93.708
Base-Backbone interact. energy: -0.058
local terms energy: -105.373446
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -23.974
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: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -255.459884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.459884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.459884 (E_RNA)
where:
Base-Base interactions energy: -153.430
where: short stacking energy: -81.317
Base-Backbone interact. energy: 0.452
local terms energy: -102.481724
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -17.045
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: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -240.946039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.946039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.946039 (E_RNA)
where:
Base-Base interactions energy: -149.679
where: short stacking energy: -71.748
Base-Backbone interact. energy: -0.710
local terms energy: -90.557559
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -138.666228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.666228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.666228 (E_RNA)
where:
Base-Base interactions energy: -49.569
where: short stacking energy: -39.508
Base-Backbone interact. energy: -0.334
local terms energy: -88.763189
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -8.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -118.005006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.005006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.005006 (E_RNA)
where:
Base-Base interactions energy: -38.175
where: short stacking energy: -36.860
Base-Backbone interact. energy: -0.225
local terms energy: -79.605576
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -384.109295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.109295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.109295 (E_RNA)
where:
Base-Base interactions energy: -266.448
where: short stacking energy: -109.842
Base-Backbone interact. energy: -0.518
local terms energy: -117.142942
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -26.107
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -31.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -326.105026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.105026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.105026 (E_RNA)
where:
Base-Base interactions energy: -197.903
where: short stacking energy: -92.821
Base-Backbone interact. energy: 0.203
local terms energy: -128.405466
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -30.537
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: -25.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -313.539503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.539503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.539503 (E_RNA)
where:
Base-Base interactions energy: -211.724
where: short stacking energy: -86.258
Base-Backbone interact. energy: 0.384
local terms energy: -102.200089
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -307.851235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.851235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.851235 (E_RNA)
where:
Base-Base interactions energy: -193.064
where: short stacking energy: -98.982
Base-Backbone interact. energy: -0.008
local terms energy: -114.780044
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -28.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -293.825029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.825029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.825029 (E_RNA)
where:
Base-Base interactions energy: -190.561
where: short stacking energy: -82.317
Base-Backbone interact. energy: -0.013
local terms energy: -103.251498
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -28.543
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -20.881
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: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -279.092504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.092504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.092504 (E_RNA)
where:
Base-Base interactions energy: -171.042
where: short stacking energy: -80.401
Base-Backbone interact. energy: -0.108
local terms energy: -107.942641
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -26.685
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: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -248.974667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.974667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.974667 (E_RNA)
where:
Base-Base interactions energy: -155.467
where: short stacking energy: -67.935
Base-Backbone interact. energy: -0.289
local terms energy: -93.218807
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -15.277
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: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -230.142391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.142391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.142391 (E_RNA)
where:
Base-Base interactions energy: -140.797
where: short stacking energy: -56.818
Base-Backbone interact. energy: 1.384
local terms energy: -90.729112
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -11.522
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: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -127.658207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.658207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.658207 (E_RNA)
where:
Base-Base interactions energy: -47.695
where: short stacking energy: -40.123
Base-Backbone interact. energy: -0.118
local terms energy: -79.845234
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -13.475
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: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -116.784096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.784096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.784096 (E_RNA)
where:
Base-Base interactions energy: -45.410
where: short stacking energy: -41.292
Base-Backbone interact. energy: 2.339
local terms energy: -73.713678
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -387.145503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.145503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.145503 (E_RNA)
where:
Base-Base interactions energy: -264.526
where: short stacking energy: -98.321
Base-Backbone interact. energy: -0.519
local terms energy: -122.100299
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -27.249
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -27.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -325.219166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.219166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.219166 (E_RNA)
where:
Base-Base interactions energy: -210.601
where: short stacking energy: -83.443
Base-Backbone interact. energy: -0.456
local terms energy: -114.162215
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -26.944
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -21.767
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: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -336.526201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.526201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.526201 (E_RNA)
where:
Base-Base interactions energy: -220.166
where: short stacking energy: -87.322
Base-Backbone interact. energy: -0.442
local terms energy: -115.918266
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -23.814
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: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -294.021938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.021938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.021938 (E_RNA)
where:
Base-Base interactions energy: -190.569
where: short stacking energy: -88.914
Base-Backbone interact. energy: -0.267
local terms energy: -103.186384
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -296.685917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.685917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.685917 (E_RNA)
where:
Base-Base interactions energy: -174.219
where: short stacking energy: -88.213
Base-Backbone interact. energy: -1.478
local terms energy: -120.988868
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -26.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -291.052860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.052860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.052860 (E_RNA)
where:
Base-Base interactions energy: -179.937
where: short stacking energy: -86.124
Base-Backbone interact. energy: 1.720
local terms energy: -112.836141
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -26.382
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -22.956
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: 272
Temperature: 1.200000
Total energy: -230.410922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.410922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.410922 (E_RNA)
where:
Base-Base interactions energy: -138.152
where: short stacking energy: -62.608
Base-Backbone interact. energy: -0.304
local terms energy: -91.954108
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -16.170
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: 8, replica: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -197.124022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.124022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.124022 (E_RNA)
where:
Base-Base interactions energy: -116.036
where: short stacking energy: -51.339
Base-Backbone interact. energy: 0.767
local terms energy: -81.855217
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -6.277
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: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -116.993449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.993449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.993449 (E_RNA)
where:
Base-Base interactions energy: -46.889
where: short stacking energy: -31.913
Base-Backbone interact. energy: 0.412
local terms energy: -70.516833
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: 4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -117.622369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.622369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.622369 (E_RNA)
where:
Base-Base interactions energy: -42.729
where: short stacking energy: -36.652
Base-Backbone interact. energy: -0.311
local terms energy: -74.582289
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -11.083
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: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -396.182417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.182417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.182417 (E_RNA)
where:
Base-Base interactions energy: -274.450
where: short stacking energy: -114.958
Base-Backbone interact. energy: 0.180
local terms energy: -121.911883
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -30.107
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: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -335.333100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.333100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.333100 (E_RNA)
where:
Base-Base interactions energy: -218.130
where: short stacking energy: -104.172
Base-Backbone interact. energy: -0.737
local terms energy: -116.466092
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -24.245
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -27.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -303.938332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.938332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.938332 (E_RNA)
where:
Base-Base interactions energy: -193.582
where: short stacking energy: -90.112
Base-Backbone interact. energy: -0.190
local terms energy: -110.166683
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -28.596
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -25.989
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: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -310.718204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.718204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.718204 (E_RNA)
where:
Base-Base interactions energy: -203.311
where: short stacking energy: -90.753
Base-Backbone interact. energy: -0.274
local terms energy: -107.133892
where:
bonds (distance) C4'-P energy: -25.097
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -27.650
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: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -298.574462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.574462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.574462 (E_RNA)
where:
Base-Base interactions energy: -190.644
where: short stacking energy: -87.115
Base-Backbone interact. energy: -0.569
local terms energy: -107.360977
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -22.551
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: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -283.789426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.789426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.789426 (E_RNA)
where:
Base-Base interactions energy: -176.173
where: short stacking energy: -79.565
Base-Backbone interact. energy: -0.234
local terms energy: -107.382121
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -25.818
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -26.409
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: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -234.845235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.845235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.845235 (E_RNA)
where:
Base-Base interactions energy: -141.654
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.663
local terms energy: -92.527832
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -9.902
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: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -201.895133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.895133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.895133 (E_RNA)
where:
Base-Base interactions energy: -113.699
where: short stacking energy: -54.047
Base-Backbone interact. energy: -0.475
local terms energy: -87.721120
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -12.457
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: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -119.528310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.528310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.528310 (E_RNA)
where:
Base-Base interactions energy: -38.624
where: short stacking energy: -33.871
Base-Backbone interact. energy: -0.080
local terms energy: -80.824041
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -123.158651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.158651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.158651 (E_RNA)
where:
Base-Base interactions energy: -59.922
where: short stacking energy: -37.703
Base-Backbone interact. energy: -0.121
local terms energy: -63.115577
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: 3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -395.965246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.965246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.965246 (E_RNA)
where:
Base-Base interactions energy: -274.885
where: short stacking energy: -104.973
Base-Backbone interact. energy: -0.004
local terms energy: -121.075981
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -25.254
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: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -337.637794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.637794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.637794 (E_RNA)
where:
Base-Base interactions energy: -213.343
where: short stacking energy: -102.891
Base-Backbone interact. energy: -0.850
local terms energy: -123.445155
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -29.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -305.722846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.722846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.722846 (E_RNA)
where:
Base-Base interactions energy: -190.932
where: short stacking energy: -93.068
Base-Backbone interact. energy: 0.303
local terms energy: -115.094012
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -26.587
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -25.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -307.804557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.804557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.804557 (E_RNA)
where:
Base-Base interactions energy: -197.115
where: short stacking energy: -80.898
Base-Backbone interact. energy: -1.170
local terms energy: -109.519755
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -28.627
flat angles C4'-P-C4' energy: -25.592
flat angles P-C4'-P energy: -13.048
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: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -304.011748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.011748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.011748 (E_RNA)
where:
Base-Base interactions energy: -203.946
where: short stacking energy: -87.686
Base-Backbone interact. energy: 0.356
local terms energy: -100.421990
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -15.985
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: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -275.449445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.449445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.449445 (E_RNA)
where:
Base-Base interactions energy: -175.029
where: short stacking energy: -68.845
Base-Backbone interact. energy: -0.051
local terms energy: -100.369213
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -16.336
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: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -238.161897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.161897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.161897 (E_RNA)
where:
Base-Base interactions energy: -155.892
where: short stacking energy: -62.568
Base-Backbone interact. energy: 0.279
local terms energy: -82.548678
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -13.037
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: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -183.561554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.561554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.561554 (E_RNA)
where:
Base-Base interactions energy: -103.265
where: short stacking energy: -49.640
Base-Backbone interact. energy: 0.228
local terms energy: -80.524386
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -8.224
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: 9, replica: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -119.480885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.480885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.480885 (E_RNA)
where:
Base-Base interactions energy: -42.487
where: short stacking energy: -39.460
Base-Backbone interact. energy: -0.402
local terms energy: -76.591771
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -1.275
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: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -117.453426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.453426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453426 (E_RNA)
where:
Base-Base interactions energy: -44.890
where: short stacking energy: -42.727
Base-Backbone interact. energy: -0.306
local terms energy: -72.256797
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -384.459393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.459393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.459393 (E_RNA)
where:
Base-Base interactions energy: -260.872
where: short stacking energy: -101.274
Base-Backbone interact. energy: -1.762
local terms energy: -121.825399
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -31.093
flat angles C4'-P-C4' energy: -27.133
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -27.211
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: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -324.343478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.343478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.343478 (E_RNA)
where:
Base-Base interactions energy: -206.100
where: short stacking energy: -99.618
Base-Backbone interact. energy: -0.104
local terms energy: -118.139549
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -319.592677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.592677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.592677 (E_RNA)
where:
Base-Base interactions energy: -211.281
where: short stacking energy: -92.324
Base-Backbone interact. energy: 2.897
local terms energy: -111.209225
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -25.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -300.695086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.695086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.695086 (E_RNA)
where:
Base-Base interactions energy: -185.334
where: short stacking energy: -79.499
Base-Backbone interact. energy: 0.612
local terms energy: -115.972823
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -26.081
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -18.596
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: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -260.686444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.686444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.686444 (E_RNA)
where:
Base-Base interactions energy: -161.993
where: short stacking energy: -71.992
Base-Backbone interact. energy: -0.420
local terms energy: -98.273645
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -271.985512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.985512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.985512 (E_RNA)
where:
Base-Base interactions energy: -169.535
where: short stacking energy: -82.532
Base-Backbone interact. energy: -0.213
local terms energy: -102.237263
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -23.894
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: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -262.419529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.419529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.419529 (E_RNA)
where:
Base-Base interactions energy: -170.794
where: short stacking energy: -73.184
Base-Backbone interact. energy: 1.247
local terms energy: -92.872941
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -217.232574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.232574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.232574 (E_RNA)
where:
Base-Base interactions energy: -135.252
where: short stacking energy: -55.583
Base-Backbone interact. energy: 0.375
local terms energy: -82.355624
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -11.549
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: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -122.359124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.359124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.359124 (E_RNA)
where:
Base-Base interactions energy: -39.780
where: short stacking energy: -32.429
Base-Backbone interact. energy: 0.384
local terms energy: -82.963342
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -17.879
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: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -112.078017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.078017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.078017 (E_RNA)
where:
Base-Base interactions energy: -27.163
where: short stacking energy: -25.045
Base-Backbone interact. energy: -1.442
local terms energy: -83.473557
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: 3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -398.943116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.943116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.943116 (E_RNA)
where:
Base-Base interactions energy: -274.342
where: short stacking energy: -113.324
Base-Backbone interact. energy: -0.537
local terms energy: -124.063233
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -29.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -316.461963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.461963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.461963 (E_RNA)
where:
Base-Base interactions energy: -196.332
where: short stacking energy: -101.099
Base-Backbone interact. energy: -0.065
local terms energy: -120.064512
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -26.039
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -28.774
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: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -312.109038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.109038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.109038 (E_RNA)
where:
Base-Base interactions energy: -198.826
where: short stacking energy: -89.164
Base-Backbone interact. energy: -0.031
local terms energy: -113.252731
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -21.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -301.817983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.817983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.817983 (E_RNA)
where:
Base-Base interactions energy: -195.991
where: short stacking energy: -87.931
Base-Backbone interact. energy: -0.360
local terms energy: -105.467277
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -297.415285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.415285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.415285 (E_RNA)
where:
Base-Base interactions energy: -180.622
where: short stacking energy: -87.321
Base-Backbone interact. energy: 0.793
local terms energy: -117.586722
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -26.505
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: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -262.411427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.411427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.411427 (E_RNA)
where:
Base-Base interactions energy: -157.505
where: short stacking energy: -79.605
Base-Backbone interact. energy: 0.257
local terms energy: -105.162787
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -211.854635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.854635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.854635 (E_RNA)
where:
Base-Base interactions energy: -133.880
where: short stacking energy: -56.850
Base-Backbone interact. energy: -0.289
local terms energy: -77.685563
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -250.949364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.949364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.949364 (E_RNA)
where:
Base-Base interactions energy: -152.486
where: short stacking energy: -69.205
Base-Backbone interact. energy: -0.169
local terms energy: -98.293683
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -121.273938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.273938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.273938 (E_RNA)
where:
Base-Base interactions energy: -49.810
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.166
local terms energy: -71.298446
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -15.890
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: 10, replica: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -120.059881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.059881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.059881 (E_RNA)
where:
Base-Base interactions energy: -44.334
where: short stacking energy: -37.013
Base-Backbone interact. energy: -0.179
local terms energy: -75.546476
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -27.614
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -1.725
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: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -392.392318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.392318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.392318 (E_RNA)
where:
Base-Base interactions energy: -269.943
where: short stacking energy: -108.860
Base-Backbone interact. energy: -0.102
local terms energy: -122.347414
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -24.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -320.660047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.660047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.660047 (E_RNA)
where:
Base-Base interactions energy: -213.073
where: short stacking energy: -91.698
Base-Backbone interact. energy: -0.703
local terms energy: -106.884212
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -21.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -314.943028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.943028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.943028 (E_RNA)
where:
Base-Base interactions energy: -204.121
where: short stacking energy: -97.501
Base-Backbone interact. energy: -0.257
local terms energy: -110.564435
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -26.838
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -22.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -315.657750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.657750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.657750 (E_RNA)
where:
Base-Base interactions energy: -199.806
where: short stacking energy: -97.980
Base-Backbone interact. energy: -0.119
local terms energy: -115.732261
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -29.780
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: 277
Temperature: 1.100000
Total energy: -286.684549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.684549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.684549 (E_RNA)
where:
Base-Base interactions energy: -186.421
where: short stacking energy: -73.861
Base-Backbone interact. energy: -0.181
local terms energy: -100.082746
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -243.792424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.792424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.792424 (E_RNA)
where:
Base-Base interactions energy: -141.915
where: short stacking energy: -75.523
Base-Backbone interact. energy: 0.635
local terms energy: -102.512110
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -27.406
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -235.732375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.732375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.732375 (E_RNA)
where:
Base-Base interactions energy: -142.485
where: short stacking energy: -57.591
Base-Backbone interact. energy: 2.744
local terms energy: -95.990551
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -255.324300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.324300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.324300 (E_RNA)
where:
Base-Base interactions energy: -166.752
where: short stacking energy: -77.215
Base-Backbone interact. energy: 0.520
local terms energy: -89.092055
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -16.489
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: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -115.219423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.219423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.219423 (E_RNA)
where:
Base-Base interactions energy: -35.269
where: short stacking energy: -34.761
Base-Backbone interact. energy: -0.211
local terms energy: -79.739745
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -4.565
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: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -105.294388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.294388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.294388 (E_RNA)
where:
Base-Base interactions energy: -44.865
where: short stacking energy: -43.506
Base-Backbone interact. energy: 1.470
local terms energy: -61.899138
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: 0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -387.981352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.981352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.981352 (E_RNA)
where:
Base-Base interactions energy: -268.671
where: short stacking energy: -109.370
Base-Backbone interact. energy: -0.469
local terms energy: -118.841389
where:
bonds (distance) C4'-P energy: -24.504
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -27.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -322.230730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.230730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.230730 (E_RNA)
where:
Base-Base interactions energy: -211.473
where: short stacking energy: -88.224
Base-Backbone interact. energy: -0.371
local terms energy: -110.386900
where:
bonds (distance) C4'-P energy: -25.478
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -332.973725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.973725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.973725 (E_RNA)
where:
Base-Base interactions energy: -208.776
where: short stacking energy: -109.038
Base-Backbone interact. energy: -0.008
local terms energy: -124.189423
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -26.579
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -36.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -313.662455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.662455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.662455 (E_RNA)
where:
Base-Base interactions energy: -201.193
where: short stacking energy: -97.268
Base-Backbone interact. energy: -0.151
local terms energy: -112.318138
where:
bonds (distance) C4'-P energy: -23.304
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -29.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -319.638483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.638483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.638483 (E_RNA)
where:
Base-Base interactions energy: -211.244
where: short stacking energy: -94.277
Base-Backbone interact. energy: 0.638
local terms energy: -109.032930
where:
bonds (distance) C4'-P energy: -22.443
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -30.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -254.318898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.318898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.318898 (E_RNA)
where:
Base-Base interactions energy: -164.413
where: short stacking energy: -76.347
Base-Backbone interact. energy: -0.442
local terms energy: -89.463838
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -263.952570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.952570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.952570 (E_RNA)
where:
Base-Base interactions energy: -166.302
where: short stacking energy: -74.192
Base-Backbone interact. energy: -0.244
local terms energy: -97.406422
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -233.085746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.085746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.085746 (E_RNA)
where:
Base-Base interactions energy: -150.969
where: short stacking energy: -63.679
Base-Backbone interact. energy: -0.320
local terms energy: -81.796968
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -13.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -126.388609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.388609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.388609 (E_RNA)
where:
Base-Base interactions energy: -60.578
where: short stacking energy: -50.652
Base-Backbone interact. energy: -0.292
local terms energy: -65.518655
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -115.344289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.344289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.344289 (E_RNA)
where:
Base-Base interactions energy: -40.064
where: short stacking energy: -34.814
Base-Backbone interact. energy: -0.409
local terms energy: -74.871592
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -400.976917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.976917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.976917 (E_RNA)
where:
Base-Base interactions energy: -278.895
where: short stacking energy: -110.404
Base-Backbone interact. energy: 0.200
local terms energy: -122.281836
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -28.183
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: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -333.194794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.194794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.194794 (E_RNA)
where:
Base-Base interactions energy: -210.954
where: short stacking energy: -109.898
Base-Backbone interact. energy: -0.808
local terms energy: -121.433526
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: -35.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -304.337912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.337912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.337912 (E_RNA)
where:
Base-Base interactions energy: -189.993
where: short stacking energy: -92.425
Base-Backbone interact. energy: -0.079
local terms energy: -114.265692
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -25.264
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -26.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -303.020431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.020431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.020431 (E_RNA)
where:
Base-Base interactions energy: -197.852
where: short stacking energy: -95.070
Base-Backbone interact. energy: 0.168
local terms energy: -105.336557
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -24.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -277.884083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.884083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.884083 (E_RNA)
where:
Base-Base interactions energy: -173.004
where: short stacking energy: -76.863
Base-Backbone interact. energy: -1.210
local terms energy: -103.669946
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -21.840
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: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -283.360532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.360532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.360532 (E_RNA)
where:
Base-Base interactions energy: -179.819
where: short stacking energy: -82.452
Base-Backbone interact. energy: -1.743
local terms energy: -101.798939
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -26.221
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: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -249.430251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.430251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.430251 (E_RNA)
where:
Base-Base interactions energy: -156.920
where: short stacking energy: -67.265
Base-Backbone interact. energy: -0.140
local terms energy: -92.369871
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -233.800094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.800094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.800094 (E_RNA)
where:
Base-Base interactions energy: -161.717
where: short stacking energy: -69.416
Base-Backbone interact. energy: -0.468
local terms energy: -71.615045
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -7.464
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: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -128.073883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.073883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.073883 (E_RNA)
where:
Base-Base interactions energy: -48.073
where: short stacking energy: -48.073
Base-Backbone interact. energy: -0.423
local terms energy: -79.577694
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -114.452619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.452619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.452619 (E_RNA)
where:
Base-Base interactions energy: -40.974
where: short stacking energy: -35.068
Base-Backbone interact. energy: -0.196
local terms energy: -73.282286
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -26.545
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: 5.886
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: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -390.908938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.908938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.908938 (E_RNA)
where:
Base-Base interactions energy: -272.295
where: short stacking energy: -102.628
Base-Backbone interact. energy: -0.315
local terms energy: -118.299367
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -337.495582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.495582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.495582 (E_RNA)
where:
Base-Base interactions energy: -215.106
where: short stacking energy: -113.129
Base-Backbone interact. energy: -0.043
local terms energy: -122.346861
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -26.228
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -32.362
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: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -315.267906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.267906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.267906 (E_RNA)
where:
Base-Base interactions energy: -212.423
where: short stacking energy: -96.899
Base-Backbone interact. energy: -0.912
local terms energy: -101.933021
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -25.668
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -291.190047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.190047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.190047 (E_RNA)
where:
Base-Base interactions energy: -194.088
where: short stacking energy: -92.752
Base-Backbone interact. energy: -0.087
local terms energy: -97.015028
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -23.595
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: 280
Temperature: 1.100000
Total energy: -282.061276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.061276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.061276 (E_RNA)
where:
Base-Base interactions energy: -187.455
where: short stacking energy: -79.302
Base-Backbone interact. energy: -0.205
local terms energy: -94.401138
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -8.714
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: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -264.968361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.968361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.968361 (E_RNA)
where:
Base-Base interactions energy: -158.784
where: short stacking energy: -76.460
Base-Backbone interact. energy: -0.180
local terms energy: -106.004765
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -236.399517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.399517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.399517 (E_RNA)
where:
Base-Base interactions energy: -155.050
where: short stacking energy: -67.890
Base-Backbone interact. energy: -0.112
local terms energy: -81.236996
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -12.090
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: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -257.036119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.036119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.036119 (E_RNA)
where:
Base-Base interactions energy: -155.046
where: short stacking energy: -70.261
Base-Backbone interact. energy: 0.443
local terms energy: -102.432606
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -26.322
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -20.752
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: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -122.648567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.648567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.648567 (E_RNA)
where:
Base-Base interactions energy: -52.429
where: short stacking energy: -44.177
Base-Backbone interact. energy: -0.361
local terms energy: -69.858008
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: 0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -106.697789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.697789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.697789 (E_RNA)
where:
Base-Base interactions energy: -36.624
where: short stacking energy: -24.724
Base-Backbone interact. energy: 0.147
local terms energy: -70.220230
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: 6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -395.588709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.588709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.588709 (E_RNA)
where:
Base-Base interactions energy: -278.355
where: short stacking energy: -110.055
Base-Backbone interact. energy: 1.364
local terms energy: -118.597820
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -28.063
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -27.491
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: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -333.486698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.486698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.486698 (E_RNA)
where:
Base-Base interactions energy: -214.240
where: short stacking energy: -109.969
Base-Backbone interact. energy: -0.929
local terms energy: -118.317216
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -20.065
tors. eta vs tors. theta energy: -32.950
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: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -323.518466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.518466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.518466 (E_RNA)
where:
Base-Base interactions energy: -200.201
where: short stacking energy: -97.242
Base-Backbone interact. energy: 1.083
local terms energy: -124.401171
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -31.435
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: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -293.400707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.400707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.400707 (E_RNA)
where:
Base-Base interactions energy: -187.431
where: short stacking energy: -86.897
Base-Backbone interact. energy: -1.274
local terms energy: -104.696215
where:
bonds (distance) C4'-P energy: -22.083
bonds (distance) P-C4' energy: -27.531
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -22.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -277.213997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.213997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.213997 (E_RNA)
where:
Base-Base interactions energy: -180.328
where: short stacking energy: -73.574
Base-Backbone interact. energy: 1.219
local terms energy: -98.105035
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -18.468
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: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -287.908570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.908570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.908570 (E_RNA)
where:
Base-Base interactions energy: -185.012
where: short stacking energy: -80.645
Base-Backbone interact. energy: -0.312
local terms energy: -102.584184
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -20.072
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: 281
Temperature: 1.200000
Total energy: -240.180304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.180304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.180304 (E_RNA)
where:
Base-Base interactions energy: -147.421
where: short stacking energy: -68.530
Base-Backbone interact. energy: 0.570
local terms energy: -93.329286
where:
bonds (distance) C4'-P energy: -24.282
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -14.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -230.520402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.520402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.520402 (E_RNA)
where:
Base-Base interactions energy: -144.241
where: short stacking energy: -61.666
Base-Backbone interact. energy: 0.935
local terms energy: -87.214336
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -131.620823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.620823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.620823 (E_RNA)
where:
Base-Base interactions energy: -51.632
where: short stacking energy: -40.954
Base-Backbone interact. energy: -0.660
local terms energy: -79.328773
where:
bonds (distance) C4'-P energy: -24.504
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: 1.057
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: 281
Temperature: 1.350000
Total energy: -136.673138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.673138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.673138 (E_RNA)
where:
Base-Base interactions energy: -54.692
where: short stacking energy: -37.307
Base-Backbone interact. energy: -0.287
local terms energy: -81.694334
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -16.369
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: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -403.074692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.074692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.074692 (E_RNA)
where:
Base-Base interactions energy: -281.082
where: short stacking energy: -101.800
Base-Backbone interact. energy: 0.145
local terms energy: -122.137394
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -26.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -330.638437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.638437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.638437 (E_RNA)
where:
Base-Base interactions energy: -208.747
where: short stacking energy: -105.621
Base-Backbone interact. energy: 1.218
local terms energy: -123.110090
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -35.444
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: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -328.244505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.244505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.244505 (E_RNA)
where:
Base-Base interactions energy: -215.821
where: short stacking energy: -86.317
Base-Backbone interact. energy: -0.958
local terms energy: -111.464524
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -26.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -300.543972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.543972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.543972 (E_RNA)
where:
Base-Base interactions energy: -185.709
where: short stacking energy: -94.289
Base-Backbone interact. energy: -0.649
local terms energy: -114.185999
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -281.892971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.892971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.892971 (E_RNA)
where:
Base-Base interactions energy: -182.692
where: short stacking energy: -92.143
Base-Backbone interact. energy: -1.092
local terms energy: -98.108900
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -24.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -307.001572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.001572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.001572 (E_RNA)
where:
Base-Base interactions energy: -200.543
where: short stacking energy: -85.043
Base-Backbone interact. energy: -0.684
local terms energy: -105.774526
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -245.374714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.374714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.374714 (E_RNA)
where:
Base-Base interactions energy: -148.265
where: short stacking energy: -66.212
Base-Backbone interact. energy: 1.874
local terms energy: -98.983340
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -256.871936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.871936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.871936 (E_RNA)
where:
Base-Base interactions energy: -168.033
where: short stacking energy: -79.627
Base-Backbone interact. energy: -0.182
local terms energy: -88.657153
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -116.152456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.152456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.152456 (E_RNA)
where:
Base-Base interactions energy: -30.601
where: short stacking energy: -30.601
Base-Backbone interact. energy: -0.139
local terms energy: -85.412479
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -121.115024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.115024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.115024 (E_RNA)
where:
Base-Base interactions energy: -53.159
where: short stacking energy: -35.704
Base-Backbone interact. energy: -0.224
local terms energy: -67.731503
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -2.690
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: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -393.610763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.610763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.610763 (E_RNA)
where:
Base-Base interactions energy: -278.284
where: short stacking energy: -111.510
Base-Backbone interact. energy: 1.819
local terms energy: -117.146092
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -30.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -335.553243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.553243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.553243 (E_RNA)
where:
Base-Base interactions energy: -212.158
where: short stacking energy: -107.257
Base-Backbone interact. energy: -0.152
local terms energy: -123.243405
where:
bonds (distance) C4'-P energy: -26.546
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -25.319
flat angles P-C4'-P energy: -23.092
tors. eta vs tors. theta energy: -28.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -319.044350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.044350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.044350 (E_RNA)
where:
Base-Base interactions energy: -199.285
where: short stacking energy: -95.558
Base-Backbone interact. energy: -0.143
local terms energy: -119.615684
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -26.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -306.267823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.267823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.267823 (E_RNA)
where:
Base-Base interactions energy: -205.154
where: short stacking energy: -98.556
Base-Backbone interact. energy: -0.639
local terms energy: -100.474760
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -28.130
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: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -279.346401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.346401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.346401 (E_RNA)
where:
Base-Base interactions energy: -183.558
where: short stacking energy: -74.518
Base-Backbone interact. energy: -0.193
local terms energy: -95.595509
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -282.759112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.759112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.759112 (E_RNA)
where:
Base-Base interactions energy: -189.062
where: short stacking energy: -75.027
Base-Backbone interact. energy: -0.764
local terms energy: -92.933187
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -18.238
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: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -228.193763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.193763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.193763 (E_RNA)
where:
Base-Base interactions energy: -137.049
where: short stacking energy: -65.356
Base-Backbone interact. energy: -0.076
local terms energy: -91.068299
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -249.849215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.849215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.849215 (E_RNA)
where:
Base-Base interactions energy: -149.730
where: short stacking energy: -70.688
Base-Backbone interact. energy: -0.900
local terms energy: -99.218544
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -121.761384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.761384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.761384 (E_RNA)
where:
Base-Base interactions energy: -50.034
where: short stacking energy: -34.530
Base-Backbone interact. energy: 0.315
local terms energy: -72.042414
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -10.162
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: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -133.722684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.722684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.722684 (E_RNA)
where:
Base-Base interactions energy: -57.896
where: short stacking energy: -32.372
Base-Backbone interact. energy: -1.707
local terms energy: -74.119623
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -13.477
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: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -393.221421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.221421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.221421 (E_RNA)
where:
Base-Base interactions energy: -265.610
where: short stacking energy: -105.219
Base-Backbone interact. energy: -0.341
local terms energy: -127.269840
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -24.981
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -21.722
tors. eta vs tors. theta energy: -30.206
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: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -316.723540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.723540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.723540 (E_RNA)
where:
Base-Base interactions energy: -198.158
where: short stacking energy: -106.569
Base-Backbone interact. energy: -0.682
local terms energy: -117.883536
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -27.005
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -30.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -298.880881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.880881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.880881 (E_RNA)
where:
Base-Base interactions energy: -193.678
where: short stacking energy: -85.262
Base-Backbone interact. energy: -0.540
local terms energy: -104.662859
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -304.138247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.138247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.138247 (E_RNA)
where:
Base-Base interactions energy: -203.884
where: short stacking energy: -86.143
Base-Backbone interact. energy: -0.157
local terms energy: -100.097176
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -294.697824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.697824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.697824 (E_RNA)
where:
Base-Base interactions energy: -192.945
where: short stacking energy: -85.081
Base-Backbone interact. energy: -0.141
local terms energy: -101.612349
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -281.957460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.957460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.957460 (E_RNA)
where:
Base-Base interactions energy: -181.947
where: short stacking energy: -78.636
Base-Backbone interact. energy: -0.220
local terms energy: -99.790266
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -279.572118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.572118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.572118 (E_RNA)
where:
Base-Base interactions energy: -169.850
where: short stacking energy: -74.887
Base-Backbone interact. energy: -0.398
local terms energy: -109.324083
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -16.865
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: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -224.496591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.496591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.496591 (E_RNA)
where:
Base-Base interactions energy: -139.255
where: short stacking energy: -68.949
Base-Backbone interact. energy: -0.952
local terms energy: -84.289030
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -15.215
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: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -124.445278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.445278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.445278 (E_RNA)
where:
Base-Base interactions energy: -45.619
where: short stacking energy: -43.782
Base-Backbone interact. energy: 0.389
local terms energy: -79.214947
where:
bonds (distance) C4'-P energy: -26.312
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.044
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: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -118.475307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.475307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.475307 (E_RNA)
where:
Base-Base interactions energy: -46.067
where: short stacking energy: -27.273
Base-Backbone interact. energy: -1.782
local terms energy: -70.625808
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: 5.427
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: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -383.889888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.889888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.889888 (E_RNA)
where:
Base-Base interactions energy: -262.764
where: short stacking energy: -102.360
Base-Backbone interact. energy: 2.217
local terms energy: -123.342664
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -27.139
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -27.537
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: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -327.436205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.436205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.436205 (E_RNA)
where:
Base-Base interactions energy: -206.870
where: short stacking energy: -100.125
Base-Backbone interact. energy: -0.995
local terms energy: -119.571046
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -303.435472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.435472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.435472 (E_RNA)
where:
Base-Base interactions energy: -187.010
where: short stacking energy: -83.649
Base-Backbone interact. energy: -0.724
local terms energy: -115.701762
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -28.544
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -16.391
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: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -305.896547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.896547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.896547 (E_RNA)
where:
Base-Base interactions energy: -195.883
where: short stacking energy: -81.282
Base-Backbone interact. energy: 1.625
local terms energy: -111.639319
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -27.226
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -292.904061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.904061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.904061 (E_RNA)
where:
Base-Base interactions energy: -203.321
where: short stacking energy: -77.870
Base-Backbone interact. energy: -0.946
local terms energy: -88.637366
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -276.567318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.567318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.567318 (E_RNA)
where:
Base-Base interactions energy: -178.256
where: short stacking energy: -71.496
Base-Backbone interact. energy: -0.149
local terms energy: -98.162070
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -283.983406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.983406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.983406 (E_RNA)
where:
Base-Base interactions energy: -178.593
where: short stacking energy: -95.874
Base-Backbone interact. energy: -0.658
local terms energy: -104.731879
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -26.129
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -27.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -226.920045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.920045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.920045 (E_RNA)
where:
Base-Base interactions energy: -141.394
where: short stacking energy: -62.548
Base-Backbone interact. energy: -0.096
local terms energy: -85.430033
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -131.438261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.438261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.438261 (E_RNA)
where:
Base-Base interactions energy: -47.158
where: short stacking energy: -42.595
Base-Backbone interact. energy: -0.155
local terms energy: -84.124759
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -4.650
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: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -131.993284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.993284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.993284 (E_RNA)
where:
Base-Base interactions energy: -43.508
where: short stacking energy: -42.926
Base-Backbone interact. energy: -0.340
local terms energy: -88.144821
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -25.441
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -397.056715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.056715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.056715 (E_RNA)
where:
Base-Base interactions energy: -269.785
where: short stacking energy: -104.386
Base-Backbone interact. energy: 0.802
local terms energy: -128.073681
where:
bonds (distance) C4'-P energy: -27.613
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -29.620
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: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -318.515357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.515357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.515357 (E_RNA)
where:
Base-Base interactions energy: -199.238
where: short stacking energy: -108.871
Base-Backbone interact. energy: -0.003
local terms energy: -119.275061
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -24.263
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -33.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -311.167264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.167264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.167264 (E_RNA)
where:
Base-Base interactions energy: -195.058
where: short stacking energy: -85.368
Base-Backbone interact. energy: -0.237
local terms energy: -115.871969
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -25.197
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -21.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -297.783059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.783059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.783059 (E_RNA)
where:
Base-Base interactions energy: -189.585
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.144
local terms energy: -108.054063
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -275.051952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.051952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.051952 (E_RNA)
where:
Base-Base interactions energy: -176.058
where: short stacking energy: -78.497
Base-Backbone interact. energy: -0.510
local terms energy: -98.484366
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -277.970570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.970570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.970570 (E_RNA)
where:
Base-Base interactions energy: -172.629
where: short stacking energy: -75.782
Base-Backbone interact. energy: -0.589
local terms energy: -104.752454
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -18.404
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: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -280.905297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.905297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.905297 (E_RNA)
where:
Base-Base interactions energy: -177.943
where: short stacking energy: -70.685
Base-Backbone interact. energy: -0.373
local terms energy: -102.589219
where:
bonds (distance) C4'-P energy: -24.975
bonds (distance) P-C4' energy: -21.308
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -14.742
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: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -217.579363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.579363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.579363 (E_RNA)
where:
Base-Base interactions energy: -142.422
where: short stacking energy: -64.721
Base-Backbone interact. energy: 0.235
local terms energy: -75.392786
where:
bonds (distance) C4'-P energy: -24.230
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -129.501484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.501484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.501484 (E_RNA)
where:
Base-Base interactions energy: -52.448
where: short stacking energy: -52.748
Base-Backbone interact. energy: 1.545
local terms energy: -78.599270
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -10.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -104.826986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.826986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.826986 (E_RNA)
where:
Base-Base interactions energy: -46.758
where: short stacking energy: -21.185
Base-Backbone interact. energy: -0.810
local terms energy: -57.259057
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: 8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -389.023704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.023704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.023704 (E_RNA)
where:
Base-Base interactions energy: -276.049
where: short stacking energy: -109.359
Base-Backbone interact. energy: -0.776
local terms energy: -112.198391
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -26.233
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: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -329.861218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.861218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.861218 (E_RNA)
where:
Base-Base interactions energy: -219.657
where: short stacking energy: -102.228
Base-Backbone interact. energy: -1.032
local terms energy: -109.171983
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -26.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -318.357777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.357777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.357777 (E_RNA)
where:
Base-Base interactions energy: -204.364
where: short stacking energy: -93.532
Base-Backbone interact. energy: 0.219
local terms energy: -114.212514
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -295.330601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.330601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.330601 (E_RNA)
where:
Base-Base interactions energy: -193.325
where: short stacking energy: -83.112
Base-Backbone interact. energy: 1.174
local terms energy: -103.179525
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -16.871
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: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -296.516873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.516873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.516873 (E_RNA)
where:
Base-Base interactions energy: -198.495
where: short stacking energy: -95.169
Base-Backbone interact. energy: -0.070
local terms energy: -97.951386
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -26.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -254.913121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.913121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.913121 (E_RNA)
where:
Base-Base interactions energy: -162.207
where: short stacking energy: -71.148
Base-Backbone interact. energy: -0.105
local terms energy: -92.601968
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -275.552859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.552859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.552859 (E_RNA)
where:
Base-Base interactions energy: -183.263
where: short stacking energy: -80.545
Base-Backbone interact. energy: -0.234
local terms energy: -92.056616
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -14.081
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: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -235.568316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.568316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.568316 (E_RNA)
where:
Base-Base interactions energy: -149.233
where: short stacking energy: -74.463
Base-Backbone interact. energy: -0.073
local terms energy: -86.262217
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -28.398
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -131.758503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.758503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.758503 (E_RNA)
where:
Base-Base interactions energy: -57.011
where: short stacking energy: -39.875
Base-Backbone interact. energy: -0.280
local terms energy: -74.468138
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -17.796
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: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -130.288684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.288684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.288684 (E_RNA)
where:
Base-Base interactions energy: -53.094
where: short stacking energy: -30.029
Base-Backbone interact. energy: -0.261
local terms energy: -76.933148
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -399.779452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.779452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.779452 (E_RNA)
where:
Base-Base interactions energy: -279.568
where: short stacking energy: -110.640
Base-Backbone interact. energy: -0.391
local terms energy: -119.819906
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -25.845
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -28.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -328.986340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.986340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.986340 (E_RNA)
where:
Base-Base interactions energy: -217.554
where: short stacking energy: -109.698
Base-Backbone interact. energy: -0.111
local terms energy: -111.321501
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -30.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -316.964869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.964869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.964869 (E_RNA)
where:
Base-Base interactions energy: -215.763
where: short stacking energy: -92.136
Base-Backbone interact. energy: -0.131
local terms energy: -101.071148
where:
bonds (distance) C4'-P energy: -25.253
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -309.380648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.380648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.380648 (E_RNA)
where:
Base-Base interactions energy: -196.590
where: short stacking energy: -91.485
Base-Backbone interact. energy: -0.229
local terms energy: -112.561199
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -28.922
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: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -293.834302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.834302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.834302 (E_RNA)
where:
Base-Base interactions energy: -189.697
where: short stacking energy: -86.788
Base-Backbone interact. energy: -0.238
local terms energy: -103.898820
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -262.970264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.970264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.970264 (E_RNA)
where:
Base-Base interactions energy: -153.460
where: short stacking energy: -68.688
Base-Backbone interact. energy: -0.355
local terms energy: -109.155149
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -259.808715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.808715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.808715 (E_RNA)
where:
Base-Base interactions energy: -162.037
where: short stacking energy: -63.292
Base-Backbone interact. energy: -0.309
local terms energy: -97.461944
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -11.009
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: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -245.856051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.856051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.856051 (E_RNA)
where:
Base-Base interactions energy: -171.717
where: short stacking energy: -65.446
Base-Backbone interact. energy: -0.343
local terms energy: -73.796147
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: 1.386
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -129.073767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.073767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.073767 (E_RNA)
where:
Base-Base interactions energy: -50.763
where: short stacking energy: -26.493
Base-Backbone interact. energy: 0.350
local terms energy: -78.660870
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -11.624
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: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -119.550545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.550545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.550545 (E_RNA)
where:
Base-Base interactions energy: -34.472
where: short stacking energy: -29.928
Base-Backbone interact. energy: -0.181
local terms energy: -84.898391
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -25.081
flat angles P-C4'-P energy: -13.726
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: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -386.986316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.986316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.986316 (E_RNA)
where:
Base-Base interactions energy: -277.245
where: short stacking energy: -108.119
Base-Backbone interact. energy: 1.076
local terms energy: -110.817384
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -336.501860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.501860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.501860 (E_RNA)
where:
Base-Base interactions energy: -223.884
where: short stacking energy: -92.974
Base-Backbone interact. energy: -1.169
local terms energy: -111.448565
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -314.916219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.916219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.916219 (E_RNA)
where:
Base-Base interactions energy: -213.125
where: short stacking energy: -87.707
Base-Backbone interact. energy: -1.490
local terms energy: -100.300377
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -304.006557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.006557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.006557 (E_RNA)
where:
Base-Base interactions energy: -182.252
where: short stacking energy: -93.326
Base-Backbone interact. energy: -0.747
local terms energy: -121.007349
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -26.536
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: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -312.757158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.757158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.757158 (E_RNA)
where:
Base-Base interactions energy: -203.306
where: short stacking energy: -89.721
Base-Backbone interact. energy: 1.555
local terms energy: -111.006759
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -31.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -282.605347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.605347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.605347 (E_RNA)
where:
Base-Base interactions energy: -189.529
where: short stacking energy: -90.760
Base-Backbone interact. energy: -0.137
local terms energy: -92.939305
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -253.863917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.863917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.863917 (E_RNA)
where:
Base-Base interactions energy: -152.873
where: short stacking energy: -65.338
Base-Backbone interact. energy: -0.562
local terms energy: -100.428963
where:
bonds (distance) C4'-P energy: -23.377
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -24.282
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -251.609670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.609670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.609670 (E_RNA)
where:
Base-Base interactions energy: -148.428
where: short stacking energy: -76.925
Base-Backbone interact. energy: 0.550
local terms energy: -103.731155
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -116.310450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.310450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.310450 (E_RNA)
where:
Base-Base interactions energy: -39.067
where: short stacking energy: -36.770
Base-Backbone interact. energy: 0.169
local terms energy: -77.412450
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -118.089989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.089989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.089989 (E_RNA)
where:
Base-Base interactions energy: -51.558
where: short stacking energy: -40.583
Base-Backbone interact. energy: -0.295
local terms energy: -66.236277
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.817
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: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -391.939218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.939218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.939218 (E_RNA)
where:
Base-Base interactions energy: -271.833
where: short stacking energy: -105.255
Base-Backbone interact. energy: -1.206
local terms energy: -118.900279
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -27.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -331.252157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.252157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.252157 (E_RNA)
where:
Base-Base interactions energy: -222.209
where: short stacking energy: -89.748
Base-Backbone interact. energy: -1.328
local terms energy: -107.714535
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -27.011
flat angles P-C4'-P energy: -19.965
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: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -326.235191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.235191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.235191 (E_RNA)
where:
Base-Base interactions energy: -205.531
where: short stacking energy: -101.135
Base-Backbone interact. energy: -0.003
local terms energy: -120.700909
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -32.539
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: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -318.174760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.174760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.174760 (E_RNA)
where:
Base-Base interactions energy: -208.906
where: short stacking energy: -88.414
Base-Backbone interact. energy: -0.571
local terms energy: -108.697807
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -27.283
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -292.631143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.631143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.631143 (E_RNA)
where:
Base-Base interactions energy: -180.129
where: short stacking energy: -85.653
Base-Backbone interact. energy: -0.024
local terms energy: -112.478523
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -287.556668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.556668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.556668 (E_RNA)
where:
Base-Base interactions energy: -191.873
where: short stacking energy: -99.098
Base-Backbone interact. energy: -0.119
local terms energy: -95.565133
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -25.643
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: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -247.016997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.016997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.016997 (E_RNA)
where:
Base-Base interactions energy: -151.878
where: short stacking energy: -68.927
Base-Backbone interact. energy: -0.217
local terms energy: -94.922169
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -233.535855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.535855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.535855 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -70.212
Base-Backbone interact. energy: 0.664
local terms energy: -97.687223
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -143.574753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.574753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.574753 (E_RNA)
where:
Base-Base interactions energy: -69.933
where: short stacking energy: -52.643
Base-Backbone interact. energy: 0.114
local terms energy: -73.756275
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -8.226
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: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -112.255316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.255316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.255316 (E_RNA)
where:
Base-Base interactions energy: -41.583
where: short stacking energy: -26.290
Base-Backbone interact. energy: -0.185
local terms energy: -70.487358
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: 3.525
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: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -370.745634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.745634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.745634 (E_RNA)
where:
Base-Base interactions energy: -258.421
where: short stacking energy: -101.208
Base-Backbone interact. energy: -0.292
local terms energy: -112.032098
where:
bonds (distance) C4'-P energy: -22.961
bonds (distance) P-C4' energy: -25.158
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -24.616
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: 291
Temperature: 0.950000
Total energy: -345.039611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.039611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.039611 (E_RNA)
where:
Base-Base interactions energy: -236.140
where: short stacking energy: -87.944
Base-Backbone interact. energy: -1.597
local terms energy: -107.302180
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -24.999
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -21.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -307.582049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.582049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.582049 (E_RNA)
where:
Base-Base interactions energy: -195.936
where: short stacking energy: -98.114
Base-Backbone interact. energy: -0.106
local terms energy: -111.539841
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -294.530804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.530804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.530804 (E_RNA)
where:
Base-Base interactions energy: -197.645
where: short stacking energy: -76.386
Base-Backbone interact. energy: 0.110
local terms energy: -96.995747
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -22.449
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -306.278450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.278450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.278450 (E_RNA)
where:
Base-Base interactions energy: -208.292
where: short stacking energy: -91.683
Base-Backbone interact. energy: -0.779
local terms energy: -97.207148
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -263.910486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.910486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.910486 (E_RNA)
where:
Base-Base interactions energy: -167.542
where: short stacking energy: -76.377
Base-Backbone interact. energy: 0.342
local terms energy: -96.710151
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -264.987630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.987630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.987630 (E_RNA)
where:
Base-Base interactions energy: -170.849
where: short stacking energy: -71.376
Base-Backbone interact. energy: -0.117
local terms energy: -94.021554
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -242.302376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.302376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.302376 (E_RNA)
where:
Base-Base interactions energy: -148.062
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.485
local terms energy: -93.755503
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -13.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -121.137489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.137489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.137489 (E_RNA)
where:
Base-Base interactions energy: -38.881
where: short stacking energy: -36.932
Base-Backbone interact. energy: -0.397
local terms energy: -81.858707
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -110.383826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.383826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.383826 (E_RNA)
where:
Base-Base interactions energy: -37.283
where: short stacking energy: -30.487
Base-Backbone interact. energy: 1.740
local terms energy: -74.841119
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: 4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -400.553389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.553389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.553389 (E_RNA)
where:
Base-Base interactions energy: -284.105
where: short stacking energy: -104.412
Base-Backbone interact. energy: -0.387
local terms energy: -116.061436
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -28.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -338.076727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.076727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.076727 (E_RNA)
where:
Base-Base interactions energy: -228.276
where: short stacking energy: -86.686
Base-Backbone interact. energy: -0.193
local terms energy: -109.607474
where:
bonds (distance) C4'-P energy: -24.356
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -324.795150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.795150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.795150 (E_RNA)
where:
Base-Base interactions energy: -207.311
where: short stacking energy: -100.841
Base-Backbone interact. energy: 1.596
local terms energy: -119.079252
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -35.642
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: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -280.501829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.501829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.501829 (E_RNA)
where:
Base-Base interactions energy: -179.346
where: short stacking energy: -83.234
Base-Backbone interact. energy: -1.988
local terms energy: -99.168280
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -20.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -281.774176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.774176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.774176 (E_RNA)
where:
Base-Base interactions energy: -176.129
where: short stacking energy: -86.012
Base-Backbone interact. energy: -0.299
local terms energy: -105.346558
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -25.433
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -303.669585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.669585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.669585 (E_RNA)
where:
Base-Base interactions energy: -193.660
where: short stacking energy: -82.652
Base-Backbone interact. energy: -0.050
local terms energy: -109.960159
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -27.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -278.470680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.470680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.470680 (E_RNA)
where:
Base-Base interactions energy: -179.297
where: short stacking energy: -87.805
Base-Backbone interact. energy: -0.112
local terms energy: -99.061950
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -243.846170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.846170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.846170 (E_RNA)
where:
Base-Base interactions energy: -144.714
where: short stacking energy: -64.646
Base-Backbone interact. energy: 0.292
local terms energy: -99.424122
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -117.039859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.039859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.039859 (E_RNA)
where:
Base-Base interactions energy: -40.449
where: short stacking energy: -30.742
Base-Backbone interact. energy: 0.493
local terms energy: -77.084119
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -117.967652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.967652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.967652 (E_RNA)
where:
Base-Base interactions energy: -47.981
where: short stacking energy: -43.840
Base-Backbone interact. energy: -0.527
local terms energy: -69.459946
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -403.478535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.478535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.478535 (E_RNA)
where:
Base-Base interactions energy: -283.736
where: short stacking energy: -105.799
Base-Backbone interact. energy: -0.431
local terms energy: -119.311531
where:
bonds (distance) C4'-P energy: -22.671
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -27.390
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: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -344.887927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.887927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.887927 (E_RNA)
where:
Base-Base interactions energy: -240.044
where: short stacking energy: -100.417
Base-Backbone interact. energy: -0.952
local terms energy: -103.892021
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -25.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -305.508954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.508954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.508954 (E_RNA)
where:
Base-Base interactions energy: -198.047
where: short stacking energy: -99.759
Base-Backbone interact. energy: -0.088
local terms energy: -107.374132
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -27.871
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -22.975
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: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -281.267941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.267941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.267941 (E_RNA)
where:
Base-Base interactions energy: -174.668
where: short stacking energy: -80.607
Base-Backbone interact. energy: -0.606
local terms energy: -105.993886
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -273.516127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.516127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.516127 (E_RNA)
where:
Base-Base interactions energy: -170.896
where: short stacking energy: -77.969
Base-Backbone interact. energy: -0.042
local terms energy: -102.578203
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -17.103
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: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -290.863003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.863003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.863003 (E_RNA)
where:
Base-Base interactions energy: -187.982
where: short stacking energy: -89.451
Base-Backbone interact. energy: -0.027
local terms energy: -102.854446
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -280.734454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.734454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.734454 (E_RNA)
where:
Base-Base interactions energy: -185.888
where: short stacking energy: -85.825
Base-Backbone interact. energy: -0.565
local terms energy: -94.280790
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -12.797
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: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -246.363176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.363176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.363176 (E_RNA)
where:
Base-Base interactions energy: -154.223
where: short stacking energy: -78.681
Base-Backbone interact. energy: 0.583
local terms energy: -92.723784
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -125.686121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.686121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.686121 (E_RNA)
where:
Base-Base interactions energy: -50.441
where: short stacking energy: -24.750
Base-Backbone interact. energy: -0.217
local terms energy: -75.029008
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -10.969
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: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -118.396565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.396565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.396565 (E_RNA)
where:
Base-Base interactions energy: -43.612
where: short stacking energy: -30.629
Base-Backbone interact. energy: 1.221
local terms energy: -76.005463
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: 6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -390.516099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.516099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.516099 (E_RNA)
where:
Base-Base interactions energy: -273.074
where: short stacking energy: -107.403
Base-Backbone interact. energy: -0.546
local terms energy: -116.896181
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -26.422
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -28.433
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: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -339.868255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.868255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.868255 (E_RNA)
where:
Base-Base interactions energy: -212.523
where: short stacking energy: -95.813
Base-Backbone interact. energy: -1.161
local terms energy: -126.184914
where:
bonds (distance) C4'-P energy: -28.890
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -31.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -280.863349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.863349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.863349 (E_RNA)
where:
Base-Base interactions energy: -163.436
where: short stacking energy: -70.600
Base-Backbone interact. energy: -0.450
local terms energy: -116.977313
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -305.281009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.281009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.281009 (E_RNA)
where:
Base-Base interactions energy: -198.333
where: short stacking energy: -98.029
Base-Backbone interact. energy: -0.175
local terms energy: -106.772834
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -27.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -299.739844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.739844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.739844 (E_RNA)
where:
Base-Base interactions energy: -190.012
where: short stacking energy: -88.286
Base-Backbone interact. energy: -0.214
local terms energy: -109.513521
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -264.880320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.880320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.880320 (E_RNA)
where:
Base-Base interactions energy: -166.882
where: short stacking energy: -79.247
Base-Backbone interact. energy: 0.958
local terms energy: -98.956400
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -23.168
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -272.996432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.996432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.996432 (E_RNA)
where:
Base-Base interactions energy: -178.698
where: short stacking energy: -80.930
Base-Backbone interact. energy: -0.264
local terms energy: -94.034119
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -259.434443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.434443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.434443 (E_RNA)
where:
Base-Base interactions energy: -165.917
where: short stacking energy: -67.928
Base-Backbone interact. energy: -0.174
local terms energy: -93.343187
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -25.860
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -121.403585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.403585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.403585 (E_RNA)
where:
Base-Base interactions energy: -38.556
where: short stacking energy: -28.943
Base-Backbone interact. energy: -0.525
local terms energy: -82.322885
where:
bonds (distance) C4'-P energy: -25.109
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -3.686
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: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -128.638792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.638792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.638792 (E_RNA)
where:
Base-Base interactions energy: -45.573
where: short stacking energy: -35.674
Base-Backbone interact. energy: -0.270
local terms energy: -82.795865
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -384.409792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.409792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.409792 (E_RNA)
where:
Base-Base interactions energy: -270.702
where: short stacking energy: -104.503
Base-Backbone interact. energy: -0.340
local terms energy: -113.367903
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -28.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -344.228233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.228233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.228233 (E_RNA)
where:
Base-Base interactions energy: -220.713
where: short stacking energy: -98.190
Base-Backbone interact. energy: -0.694
local terms energy: -122.821846
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -28.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -306.671106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.671106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.671106 (E_RNA)
where:
Base-Base interactions energy: -200.302
where: short stacking energy: -84.829
Base-Backbone interact. energy: -0.074
local terms energy: -106.295410
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -25.197
flat angles P-C4'-P energy: -13.778
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: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -296.984070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.984070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.984070 (E_RNA)
where:
Base-Base interactions energy: -189.382
where: short stacking energy: -81.863
Base-Backbone interact. energy: -0.153
local terms energy: -107.449401
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -283.282767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.282767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.282767 (E_RNA)
where:
Base-Base interactions energy: -174.438
where: short stacking energy: -80.341
Base-Backbone interact. energy: -0.395
local terms energy: -108.450554
where:
bonds (distance) C4'-P energy: -24.858
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -15.990
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: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -269.378476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.378476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.378476 (E_RNA)
where:
Base-Base interactions energy: -182.300
where: short stacking energy: -88.162
Base-Backbone interact. energy: -0.254
local terms energy: -86.824532
where:
bonds (distance) C4'-P energy: -21.975
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -254.423480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.423480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.423480 (E_RNA)
where:
Base-Base interactions energy: -162.238
where: short stacking energy: -83.733
Base-Backbone interact. energy: -0.021
local terms energy: -92.164651
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -217.976373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.976373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.976373 (E_RNA)
where:
Base-Base interactions energy: -142.964
where: short stacking energy: -68.034
Base-Backbone interact. energy: -0.248
local terms energy: -74.764302
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -126.280405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.280405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.280405 (E_RNA)
where:
Base-Base interactions energy: -47.702
where: short stacking energy: -40.778
Base-Backbone interact. energy: -0.290
local terms energy: -78.288984
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -8.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -112.888189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.888189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.888189 (E_RNA)
where:
Base-Base interactions energy: -37.110
where: short stacking energy: -34.323
Base-Backbone interact. energy: -0.756
local terms energy: -75.022485
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: 3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -398.888378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.888378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.888378 (E_RNA)
where:
Base-Base interactions energy: -274.719
where: short stacking energy: -108.338
Base-Backbone interact. energy: -0.105
local terms energy: -124.064386
where:
bonds (distance) C4'-P energy: -25.033
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -342.264871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.264871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.264871 (E_RNA)
where:
Base-Base interactions energy: -225.951
where: short stacking energy: -112.674
Base-Backbone interact. energy: -3.271
local terms energy: -113.043407
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -26.045
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -28.273
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: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -300.112844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.112844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.112844 (E_RNA)
where:
Base-Base interactions energy: -193.050
where: short stacking energy: -80.646
Base-Backbone interact. energy: -0.653
local terms energy: -106.410210
where:
bonds (distance) C4'-P energy: -24.921
bonds (distance) P-C4' energy: -24.961
flat angles C4'-P-C4' energy: -26.436
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -283.918467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.918467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.918467 (E_RNA)
where:
Base-Base interactions energy: -180.709
where: short stacking energy: -76.214
Base-Backbone interact. energy: -0.525
local terms energy: -102.685145
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -26.214
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -279.040143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.040143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.040143 (E_RNA)
where:
Base-Base interactions energy: -176.932
where: short stacking energy: -81.569
Base-Backbone interact. energy: -0.132
local terms energy: -101.975852
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -20.764
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: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -269.830500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.830500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.830500 (E_RNA)
where:
Base-Base interactions energy: -170.304
where: short stacking energy: -68.124
Base-Backbone interact. energy: -0.301
local terms energy: -99.225248
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -248.251262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.251262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.251262 (E_RNA)
where:
Base-Base interactions energy: -153.068
where: short stacking energy: -72.949
Base-Backbone interact. energy: 0.396
local terms energy: -95.579465
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -225.948875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.948875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.948875 (E_RNA)
where:
Base-Base interactions energy: -127.207
where: short stacking energy: -53.328
Base-Backbone interact. energy: 0.703
local terms energy: -99.444768
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -12.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -124.694230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.694230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.694230 (E_RNA)
where:
Base-Base interactions energy: -39.490
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.102
local terms energy: -85.102496
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -118.072712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.072712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.072712 (E_RNA)
where:
Base-Base interactions energy: -40.127
where: short stacking energy: -33.523
Base-Backbone interact. energy: -0.285
local terms energy: -77.660130
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -14.120
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: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -385.902922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.902922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.902922 (E_RNA)
where:
Base-Base interactions energy: -277.282
where: short stacking energy: -104.793
Base-Backbone interact. energy: -0.454
local terms energy: -108.166380
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -327.370598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.370598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.370598 (E_RNA)
where:
Base-Base interactions energy: -213.711
where: short stacking energy: -91.835
Base-Backbone interact. energy: -0.461
local terms energy: -113.199174
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -24.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -287.878103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.878103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.878103 (E_RNA)
where:
Base-Base interactions energy: -178.715
where: short stacking energy: -89.055
Base-Backbone interact. energy: -0.205
local terms energy: -108.957459
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -289.320041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.320041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.320041 (E_RNA)
where:
Base-Base interactions energy: -178.634
where: short stacking energy: -84.438
Base-Backbone interact. energy: -0.690
local terms energy: -109.995965
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -29.925
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -21.098
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: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -279.872588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.872588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.872588 (E_RNA)
where:
Base-Base interactions energy: -179.415
where: short stacking energy: -78.412
Base-Backbone interact. energy: 0.270
local terms energy: -100.727497
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -290.922029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.922029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.922029 (E_RNA)
where:
Base-Base interactions energy: -182.418
where: short stacking energy: -93.678
Base-Backbone interact. energy: -0.176
local terms energy: -108.328543
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -281.272173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.272173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.272173 (E_RNA)
where:
Base-Base interactions energy: -171.879
where: short stacking energy: -78.507
Base-Backbone interact. energy: 0.066
local terms energy: -109.458497
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -24.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -230.245852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.245852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.245852 (E_RNA)
where:
Base-Base interactions energy: -140.873
where: short stacking energy: -69.395
Base-Backbone interact. energy: -0.840
local terms energy: -88.532846
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -12.644
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: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -130.787887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.787887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.787887 (E_RNA)
where:
Base-Base interactions energy: -54.840
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.765
local terms energy: -75.182928
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -112.693985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.693985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.693985 (E_RNA)
where:
Base-Base interactions energy: -45.495
where: short stacking energy: -29.352
Base-Backbone interact. energy: 0.920
local terms energy: -68.118629
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: 0.440
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -383.420442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.420442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.420442 (E_RNA)
where:
Base-Base interactions energy: -270.238
where: short stacking energy: -98.487
Base-Backbone interact. energy: -0.299
local terms energy: -112.883772
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -25.919
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: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -329.580273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.580273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.580273 (E_RNA)
where:
Base-Base interactions energy: -222.698
where: short stacking energy: -88.355
Base-Backbone interact. energy: -0.946
local terms energy: -105.936105
where:
bonds (distance) C4'-P energy: -23.883
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -21.642
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: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -296.584153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.584153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.584153 (E_RNA)
where:
Base-Base interactions energy: -195.375
where: short stacking energy: -93.849
Base-Backbone interact. energy: 0.489
local terms energy: -101.697912
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -286.283122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.283122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.283122 (E_RNA)
where:
Base-Base interactions energy: -184.023
where: short stacking energy: -78.762
Base-Backbone interact. energy: -0.932
local terms energy: -101.327429
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -291.557158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.557158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.557158 (E_RNA)
where:
Base-Base interactions energy: -186.629
where: short stacking energy: -100.138
Base-Backbone interact. energy: -0.010
local terms energy: -104.917820
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -21.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -279.324424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.324424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.324424 (E_RNA)
where:
Base-Base interactions energy: -191.834
where: short stacking energy: -79.472
Base-Backbone interact. energy: -0.150
local terms energy: -87.340330
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -18.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -275.456038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.456038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.456038 (E_RNA)
where:
Base-Base interactions energy: -171.147
where: short stacking energy: -81.279
Base-Backbone interact. energy: -0.242
local terms energy: -104.066879
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -244.063042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.063042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.063042 (E_RNA)
where:
Base-Base interactions energy: -157.711
where: short stacking energy: -79.279
Base-Backbone interact. energy: 0.485
local terms energy: -86.837488
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -115.173712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.173712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.173712 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -32.177
Base-Backbone interact. energy: 3.011
local terms energy: -86.008063
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -115.901573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.901573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.901573 (E_RNA)
where:
Base-Base interactions energy: -53.761
where: short stacking energy: -39.548
Base-Backbone interact. energy: -0.519
local terms energy: -61.621411
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -2.812
tors. eta vs tors. theta energy: -2.753
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: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -383.579249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.579249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.579249 (E_RNA)
where:
Base-Base interactions energy: -250.505
where: short stacking energy: -104.256
Base-Backbone interact. energy: -0.253
local terms energy: -132.821310
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -27.330
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -33.401
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: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -322.703598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.703598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.703598 (E_RNA)
where:
Base-Base interactions energy: -213.311
where: short stacking energy: -84.019
Base-Backbone interact. energy: 1.167
local terms energy: -110.559947
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -27.128
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -326.488492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.488492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.488492 (E_RNA)
where:
Base-Base interactions energy: -208.846
where: short stacking energy: -101.246
Base-Backbone interact. energy: 0.225
local terms energy: -117.868106
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -27.745
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -29.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -316.413193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.413193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.413193 (E_RNA)
where:
Base-Base interactions energy: -208.755
where: short stacking energy: -108.766
Base-Backbone interact. energy: -0.484
local terms energy: -107.174222
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -30.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -281.053039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.053039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.053039 (E_RNA)
where:
Base-Base interactions energy: -172.930
where: short stacking energy: -76.793
Base-Backbone interact. energy: -0.111
local terms energy: -108.011903
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -23.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -284.544936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.544936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.544936 (E_RNA)
where:
Base-Base interactions energy: -179.651
where: short stacking energy: -84.191
Base-Backbone interact. energy: -0.750
local terms energy: -104.144803
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -25.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -282.887622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.887622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.887622 (E_RNA)
where:
Base-Base interactions energy: -182.816
where: short stacking energy: -76.500
Base-Backbone interact. energy: -0.365
local terms energy: -99.706253
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -27.564
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -231.395767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.395767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.395767 (E_RNA)
where:
Base-Base interactions energy: -139.059
where: short stacking energy: -73.228
Base-Backbone interact. energy: -0.064
local terms energy: -92.272066
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -22.971
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -136.801948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.801948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.801948 (E_RNA)
where:
Base-Base interactions energy: -61.006
where: short stacking energy: -36.469
Base-Backbone interact. energy: -0.330
local terms energy: -75.466077
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -27.190
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -6.361
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: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -120.107929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.107929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.107929 (E_RNA)
where:
Base-Base interactions energy: -62.796
where: short stacking energy: -39.557
Base-Backbone interact. energy: -1.113
local terms energy: -56.198556
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: 3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -388.890058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.890058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.890058 (E_RNA)
where:
Base-Base interactions energy: -274.661
where: short stacking energy: -106.641
Base-Backbone interact. energy: -0.980
local terms energy: -113.249629
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -28.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -328.374976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.374976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.374976 (E_RNA)
where:
Base-Base interactions energy: -216.905
where: short stacking energy: -104.270
Base-Backbone interact. energy: -0.979
local terms energy: -110.490831
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -27.693
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -28.694
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: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -307.286273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.286273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.286273 (E_RNA)
where:
Base-Base interactions energy: -195.625
where: short stacking energy: -94.877
Base-Backbone interact. energy: -0.194
local terms energy: -111.467041
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -26.272
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: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -319.027988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.027988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.027988 (E_RNA)
where:
Base-Base interactions energy: -190.738
where: short stacking energy: -98.089
Base-Backbone interact. energy: -0.380
local terms energy: -127.910645
where:
bonds (distance) C4'-P energy: -25.686
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -296.186666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.186666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.186666 (E_RNA)
where:
Base-Base interactions energy: -194.056
where: short stacking energy: -88.353
Base-Backbone interact. energy: -0.452
local terms energy: -101.678651
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -23.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -265.660903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.660903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.660903 (E_RNA)
where:
Base-Base interactions energy: -172.498
where: short stacking energy: -77.044
Base-Backbone interact. energy: -1.551
local terms energy: -91.611658
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -287.373265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.373265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.373265 (E_RNA)
where:
Base-Base interactions energy: -177.957
where: short stacking energy: -77.067
Base-Backbone interact. energy: 0.477
local terms energy: -109.893435
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -22.572
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -24.702
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: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -258.718396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.718396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.718396 (E_RNA)
where:
Base-Base interactions energy: -167.245
where: short stacking energy: -89.457
Base-Backbone interact. energy: -0.085
local terms energy: -91.387807
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -20.828
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: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -128.780996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.780996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.780996 (E_RNA)
where:
Base-Base interactions energy: -62.050
where: short stacking energy: -30.342
Base-Backbone interact. energy: -0.235
local terms energy: -66.495888
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: 3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -133.583509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.583509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.583509 (E_RNA)
where:
Base-Base interactions energy: -59.070
where: short stacking energy: -39.189
Base-Backbone interact. energy: -0.081
local terms energy: -74.431943
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -10.613
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: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -389.592900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.592900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.592900 (E_RNA)
where:
Base-Base interactions energy: -269.224
where: short stacking energy: -106.569
Base-Backbone interact. energy: -0.262
local terms energy: -120.107445
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -26.761
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: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -325.025818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.025818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.025818 (E_RNA)
where:
Base-Base interactions energy: -211.379
where: short stacking energy: -106.137
Base-Backbone interact. energy: -0.507
local terms energy: -113.139743
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -24.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -320.117575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.117575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.117575 (E_RNA)
where:
Base-Base interactions energy: -199.510
where: short stacking energy: -91.701
Base-Backbone interact. energy: -0.043
local terms energy: -120.564495
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -29.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -289.689671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.689671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.689671 (E_RNA)
where:
Base-Base interactions energy: -181.167
where: short stacking energy: -97.349
Base-Backbone interact. energy: -0.067
local terms energy: -108.455621
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -25.978
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -23.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -295.292004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.292004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.292004 (E_RNA)
where:
Base-Base interactions energy: -187.160
where: short stacking energy: -98.284
Base-Backbone interact. energy: -0.936
local terms energy: -107.195505
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -27.870
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -24.880
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: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -271.423071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.423071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.423071 (E_RNA)
where:
Base-Base interactions energy: -166.732
where: short stacking energy: -75.832
Base-Backbone interact. energy: -1.728
local terms energy: -102.962436
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -17.663
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: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -242.800314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.800314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.800314 (E_RNA)
where:
Base-Base interactions energy: -155.603
where: short stacking energy: -73.176
Base-Backbone interact. energy: -0.112
local terms energy: -87.085011
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -233.103024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.103024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.103024 (E_RNA)
where:
Base-Base interactions energy: -140.167
where: short stacking energy: -60.822
Base-Backbone interact. energy: -0.362
local terms energy: -92.573677
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -104.765874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.765874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.765874 (E_RNA)
where:
Base-Base interactions energy: -18.675
where: short stacking energy: -18.675
Base-Backbone interact. energy: -0.417
local terms energy: -85.673941
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -117.487794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.487794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.487794 (E_RNA)
where:
Base-Base interactions energy: -47.937
where: short stacking energy: -38.519
Base-Backbone interact. energy: -0.415
local terms energy: -69.135049
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -389.121205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.121205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.121205 (E_RNA)
where:
Base-Base interactions energy: -264.948
where: short stacking energy: -98.542
Base-Backbone interact. energy: -0.992
local terms energy: -123.181268
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -26.298
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -28.788
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: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -347.964519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.964519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.964519 (E_RNA)
where:
Base-Base interactions energy: -234.793
where: short stacking energy: -101.497
Base-Backbone interact. energy: -0.425
local terms energy: -112.746460
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -25.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -313.923945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.923945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.923945 (E_RNA)
where:
Base-Base interactions energy: -204.077
where: short stacking energy: -97.637
Base-Backbone interact. energy: 0.181
local terms energy: -110.027921
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -18.704
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: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -295.627736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.627736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.627736 (E_RNA)
where:
Base-Base interactions energy: -189.176
where: short stacking energy: -81.284
Base-Backbone interact. energy: -0.707
local terms energy: -105.744376
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -282.669703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.669703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.669703 (E_RNA)
where:
Base-Base interactions energy: -184.179
where: short stacking energy: -93.951
Base-Backbone interact. energy: -0.275
local terms energy: -98.216584
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -256.587088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.587088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.587088 (E_RNA)
where:
Base-Base interactions energy: -166.257
where: short stacking energy: -68.292
Base-Backbone interact. energy: -0.702
local terms energy: -89.628415
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -256.471961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.471961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.471961 (E_RNA)
where:
Base-Base interactions energy: -148.381
where: short stacking energy: -80.619
Base-Backbone interact. energy: -0.157
local terms energy: -107.934365
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -18.068
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: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -234.089472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.089472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.089472 (E_RNA)
where:
Base-Base interactions energy: -141.152
where: short stacking energy: -67.833
Base-Backbone interact. energy: -0.143
local terms energy: -92.794453
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -24.756
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -5.531
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: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -131.097268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.097268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.097268 (E_RNA)
where:
Base-Base interactions energy: -57.112
where: short stacking energy: -32.517
Base-Backbone interact. energy: 0.439
local terms energy: -74.424445
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -24.040
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -18.456
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: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -116.969789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.969789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.969789 (E_RNA)
where:
Base-Base interactions energy: -37.140
where: short stacking energy: -37.140
Base-Backbone interact. energy: -0.669
local terms energy: -79.160308
where:
bonds (distance) C4'-P energy: -26.566
bonds (distance) P-C4' energy: -19.354
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: 3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -389.670337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.670337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.670337 (E_RNA)
where:
Base-Base interactions energy: -263.987
where: short stacking energy: -100.425
Base-Backbone interact. energy: -0.242
local terms energy: -125.441330
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -27.117
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -28.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -317.430686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.430686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.430686 (E_RNA)
where:
Base-Base interactions energy: -197.068
where: short stacking energy: -94.532
Base-Backbone interact. energy: -0.345
local terms energy: -120.017195
where:
bonds (distance) C4'-P energy: -23.785
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -28.476
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -26.251
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: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -344.684831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.684831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.684831 (E_RNA)
where:
Base-Base interactions energy: -217.204
where: short stacking energy: -104.910
Base-Backbone interact. energy: -0.218
local terms energy: -127.262018
where:
bonds (distance) C4'-P energy: -25.496
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -29.973
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: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -279.262565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.262565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.262565 (E_RNA)
where:
Base-Base interactions energy: -170.105
where: short stacking energy: -92.027
Base-Backbone interact. energy: 1.634
local terms energy: -110.790720
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -280.574154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.574154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.574154 (E_RNA)
where:
Base-Base interactions energy: -161.979
where: short stacking energy: -67.190
Base-Backbone interact. energy: -0.538
local terms energy: -118.057510
where:
bonds (distance) C4'-P energy: -26.996
bonds (distance) P-C4' energy: -28.868
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -19.858
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: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -276.456396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.456396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.456396 (E_RNA)
where:
Base-Base interactions energy: -174.483
where: short stacking energy: -81.097
Base-Backbone interact. energy: -0.173
local terms energy: -101.799776
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -264.327179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.327179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.327179 (E_RNA)
where:
Base-Base interactions energy: -178.513
where: short stacking energy: -73.288
Base-Backbone interact. energy: -0.295
local terms energy: -85.519309
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -203.018383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.018383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.018383 (E_RNA)
where:
Base-Base interactions energy: -111.204
where: short stacking energy: -60.661
Base-Backbone interact. energy: -0.176
local terms energy: -91.638508
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -25.646
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -11.243
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: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -142.108517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.108517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.108517 (E_RNA)
where:
Base-Base interactions energy: -59.258
where: short stacking energy: -49.509
Base-Backbone interact. energy: -0.712
local terms energy: -82.138726
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -9.715
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: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -109.001808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.001808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.001808 (E_RNA)
where:
Base-Base interactions energy: -36.079
where: short stacking energy: -10.964
Base-Backbone interact. energy: -2.219
local terms energy: -70.704087
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -13.276
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: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -397.353195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.353195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.353195 (E_RNA)
where:
Base-Base interactions energy: -271.284
where: short stacking energy: -112.659
Base-Backbone interact. energy: -1.089
local terms energy: -124.980847
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -29.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -309.321772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.321772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.321772 (E_RNA)
where:
Base-Base interactions energy: -188.781
where: short stacking energy: -93.445
Base-Backbone interact. energy: -1.383
local terms energy: -119.157877
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -27.578
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -25.612
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: 3, replica: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -296.854177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.854177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.854177 (E_RNA)
where:
Base-Base interactions energy: -192.882
where: short stacking energy: -91.408
Base-Backbone interact. energy: -0.420
local terms energy: -103.552731
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -24.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -327.489668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.489668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.489668 (E_RNA)
where:
Base-Base interactions energy: -211.657
where: short stacking energy: -102.571
Base-Backbone interact. energy: -0.655
local terms energy: -115.177627
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -27.856
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -27.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -282.956190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.956190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.956190 (E_RNA)
where:
Base-Base interactions energy: -172.934
where: short stacking energy: -84.891
Base-Backbone interact. energy: -0.618
local terms energy: -109.404453
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -22.980
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -24.567
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: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -279.045935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.045935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.045935 (E_RNA)
where:
Base-Base interactions energy: -172.487
where: short stacking energy: -80.881
Base-Backbone interact. energy: -0.517
local terms energy: -106.042022
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -13.316
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: 7, replica: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -276.256726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.256726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.256726 (E_RNA)
where:
Base-Base interactions energy: -189.789
where: short stacking energy: -73.463
Base-Backbone interact. energy: -0.154
local terms energy: -86.313826
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -240.123696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.123696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.123696 (E_RNA)
where:
Base-Base interactions energy: -156.267
where: short stacking energy: -64.167
Base-Backbone interact. energy: 0.283
local terms energy: -84.139801
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -122.861139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.861139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.861139 (E_RNA)
where:
Base-Base interactions energy: -37.664
where: short stacking energy: -32.027
Base-Backbone interact. energy: -0.205
local terms energy: -84.992977
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -120.615151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.615151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.615151 (E_RNA)
where:
Base-Base interactions energy: -37.066
where: short stacking energy: -32.884
Base-Backbone interact. energy: 0.494
local terms energy: -84.042598
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -16.862
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: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -387.818763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.818763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.818763 (E_RNA)
where:
Base-Base interactions energy: -269.391
where: short stacking energy: -112.009
Base-Backbone interact. energy: -0.089
local terms energy: -118.339398
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -18.171
tors. eta vs tors. theta energy: -26.689
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: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -330.851477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.851477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.851477 (E_RNA)
where:
Base-Base interactions energy: -210.068
where: short stacking energy: -99.750
Base-Backbone interact. energy: -1.279
local terms energy: -119.504537
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -29.961
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: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -313.246617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.246617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.246617 (E_RNA)
where:
Base-Base interactions energy: -205.029
where: short stacking energy: -82.145
Base-Backbone interact. energy: -0.256
local terms energy: -107.961757
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -25.542
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -301.715462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.715462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.715462 (E_RNA)
where:
Base-Base interactions energy: -191.834
where: short stacking energy: -80.494
Base-Backbone interact. energy: -0.173
local terms energy: -109.708822
where:
bonds (distance) C4'-P energy: -24.925
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -293.954463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.954463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.954463 (E_RNA)
where:
Base-Base interactions energy: -185.056
where: short stacking energy: -85.545
Base-Backbone interact. energy: -0.611
local terms energy: -108.286743
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -27.488
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -273.608622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.608622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.608622 (E_RNA)
where:
Base-Base interactions energy: -176.204
where: short stacking energy: -78.042
Base-Backbone interact. energy: -0.364
local terms energy: -97.040633
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -253.011429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.011429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.011429 (E_RNA)
where:
Base-Base interactions energy: -163.045
where: short stacking energy: -60.596
Base-Backbone interact. energy: -0.831
local terms energy: -89.135277
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -26.313
flat angles C4'-P-C4' energy: -26.335
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -243.479323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.479323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.479323 (E_RNA)
where:
Base-Base interactions energy: -147.586
where: short stacking energy: -68.179
Base-Backbone interact. energy: -0.541
local terms energy: -95.352488
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -128.910541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.910541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.910541 (E_RNA)
where:
Base-Base interactions energy: -44.934
where: short stacking energy: -41.734
Base-Backbone interact. energy: -0.224
local terms energy: -83.752126
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -119.006070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.006070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.006070 (E_RNA)
where:
Base-Base interactions energy: -38.424
where: short stacking energy: -33.927
Base-Backbone interact. energy: -0.766
local terms energy: -79.815778
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -29.528
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -2.670
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: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -383.718181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.718181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.718181 (E_RNA)
where:
Base-Base interactions energy: -261.956
where: short stacking energy: -107.891
Base-Backbone interact. energy: -0.054
local terms energy: -121.708144
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -29.601
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -28.280
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: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -325.610294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.610294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.610294 (E_RNA)
where:
Base-Base interactions energy: -218.802
where: short stacking energy: -95.220
Base-Backbone interact. energy: -1.302
local terms energy: -105.505860
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -23.829
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: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -310.720625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.720625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.720625 (E_RNA)
where:
Base-Base interactions energy: -191.897
where: short stacking energy: -104.862
Base-Backbone interact. energy: -0.253
local terms energy: -118.571009
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -27.978
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -27.765
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: 306
Temperature: 1.050000
Total energy: -293.966413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.966413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.966413 (E_RNA)
where:
Base-Base interactions energy: -187.132
where: short stacking energy: -86.318
Base-Backbone interact. energy: -0.721
local terms energy: -106.113235
where:
bonds (distance) C4'-P energy: -28.954
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -19.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -303.117002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.117002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.117002 (E_RNA)
where:
Base-Base interactions energy: -190.187
where: short stacking energy: -80.630
Base-Backbone interact. energy: -0.137
local terms energy: -112.792927
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -282.973341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.973341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.973341 (E_RNA)
where:
Base-Base interactions energy: -178.201
where: short stacking energy: -97.743
Base-Backbone interact. energy: -0.394
local terms energy: -104.378205
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -260.325892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.325892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.325892 (E_RNA)
where:
Base-Base interactions energy: -169.568
where: short stacking energy: -76.428
Base-Backbone interact. energy: -0.139
local terms energy: -90.618979
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -257.068228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.068228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.068228 (E_RNA)
where:
Base-Base interactions energy: -172.347
where: short stacking energy: -73.312
Base-Backbone interact. energy: -0.382
local terms energy: -84.339655
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -26.710
flat angles P-C4'-P energy: -11.001
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: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -113.345549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.345549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.345549 (E_RNA)
where:
Base-Base interactions energy: -50.323
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.766
local terms energy: -62.256969
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: 3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -121.895447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.895447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.895447 (E_RNA)
where:
Base-Base interactions energy: -53.446
where: short stacking energy: -34.514
Base-Backbone interact. energy: 0.332
local terms energy: -68.781355
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -4.260
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: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -372.059056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.059056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.059056 (E_RNA)
where:
Base-Base interactions energy: -261.258
where: short stacking energy: -102.069
Base-Backbone interact. energy: -0.716
local terms energy: -110.085162
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -23.206
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: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -349.108178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.108178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.108178 (E_RNA)
where:
Base-Base interactions energy: -217.045
where: short stacking energy: -115.640
Base-Backbone interact. energy: -0.122
local terms energy: -131.940878
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -35.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -315.917076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.917076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.917076 (E_RNA)
where:
Base-Base interactions energy: -194.144
where: short stacking energy: -94.777
Base-Backbone interact. energy: -0.539
local terms energy: -121.233918
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -25.567
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -26.253
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: 307
Temperature: 1.050000
Total energy: -308.946809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.946809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.946809 (E_RNA)
where:
Base-Base interactions energy: -204.588
where: short stacking energy: -85.813
Base-Backbone interact. energy: -0.240
local terms energy: -104.119263
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -291.319139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.319139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.319139 (E_RNA)
where:
Base-Base interactions energy: -180.839
where: short stacking energy: -75.051
Base-Backbone interact. energy: -0.315
local terms energy: -110.165923
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -271.258649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.258649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.258649 (E_RNA)
where:
Base-Base interactions energy: -165.569
where: short stacking energy: -77.575
Base-Backbone interact. energy: -0.368
local terms energy: -105.321645
where:
bonds (distance) C4'-P energy: -27.927
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -274.834107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.834107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.834107 (E_RNA)
where:
Base-Base interactions energy: -178.020
where: short stacking energy: -68.003
Base-Backbone interact. energy: 2.280
local terms energy: -99.094449
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -25.611
flat angles P-C4'-P energy: -15.066
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: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -246.408463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.408463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.408463 (E_RNA)
where:
Base-Base interactions energy: -154.917
where: short stacking energy: -56.720
Base-Backbone interact. energy: -0.743
local terms energy: -90.748475
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -5.699
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: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -111.350807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.350807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.350807 (E_RNA)
where:
Base-Base interactions energy: -46.332
where: short stacking energy: -42.945
Base-Backbone interact. energy: -0.143
local terms energy: -64.876280
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -127.079701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.079701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.079701 (E_RNA)
where:
Base-Base interactions energy: -52.707
where: short stacking energy: -29.198
Base-Backbone interact. energy: -0.714
local terms energy: -73.658282
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -10.344
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: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -385.187602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.187602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.187602 (E_RNA)
where:
Base-Base interactions energy: -260.470
where: short stacking energy: -100.886
Base-Backbone interact. energy: -0.391
local terms energy: -124.326838
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -30.432
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: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -320.956449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.956449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.956449 (E_RNA)
where:
Base-Base interactions energy: -210.916
where: short stacking energy: -109.961
Base-Backbone interact. energy: -0.370
local terms energy: -109.670490
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -30.599
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: 308
Temperature: 1.000000
Total energy: -301.130585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.130585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.130585 (E_RNA)
where:
Base-Base interactions energy: -194.931
where: short stacking energy: -82.642
Base-Backbone interact. energy: -0.258
local terms energy: -105.941282
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -28.245
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -22.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -313.446123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.446123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.446123 (E_RNA)
where:
Base-Base interactions energy: -208.427
where: short stacking energy: -85.357
Base-Backbone interact. energy: -0.306
local terms energy: -104.713050
where:
bonds (distance) C4'-P energy: -22.397
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -26.874
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -25.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -295.538187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.538187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.538187 (E_RNA)
where:
Base-Base interactions energy: -190.696
where: short stacking energy: -80.045
Base-Backbone interact. energy: -0.774
local terms energy: -104.067666
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -259.075790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.075790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.075790 (E_RNA)
where:
Base-Base interactions energy: -151.922
where: short stacking energy: -73.843
Base-Backbone interact. energy: -0.063
local terms energy: -107.090475
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -16.889
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: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -287.693076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.693076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.693076 (E_RNA)
where:
Base-Base interactions energy: -185.070
where: short stacking energy: -87.181
Base-Backbone interact. energy: -0.324
local terms energy: -102.299163
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -260.666763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.666763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.666763 (E_RNA)
where:
Base-Base interactions energy: -165.763
where: short stacking energy: -78.614
Base-Backbone interact. energy: -1.352
local terms energy: -93.552198
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -123.748184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.748184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.748184 (E_RNA)
where:
Base-Base interactions energy: -58.907
where: short stacking energy: -52.801
Base-Backbone interact. energy: 1.014
local terms energy: -65.855374
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -4.344
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: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -108.188412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.188412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.188412 (E_RNA)
where:
Base-Base interactions energy: -34.627
where: short stacking energy: -34.193
Base-Backbone interact. energy: -0.950
local terms energy: -72.611183
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -0.458
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: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -387.683791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.683791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.683791 (E_RNA)
where:
Base-Base interactions energy: -267.345
where: short stacking energy: -106.124
Base-Backbone interact. energy: -1.925
local terms energy: -118.413301
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -31.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -318.069459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.069459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.069459 (E_RNA)
where:
Base-Base interactions energy: -201.545
where: short stacking energy: -97.080
Base-Backbone interact. energy: -1.768
local terms energy: -114.756186
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -26.902
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -24.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -318.187009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.187009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.187009 (E_RNA)
where:
Base-Base interactions energy: -210.600
where: short stacking energy: -85.599
Base-Backbone interact. energy: 0.636
local terms energy: -108.222868
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -292.678494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.678494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.678494 (E_RNA)
where:
Base-Base interactions energy: -182.472
where: short stacking energy: -97.574
Base-Backbone interact. energy: 0.131
local terms energy: -110.337205
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -29.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -280.478513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.478513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.478513 (E_RNA)
where:
Base-Base interactions energy: -169.188
where: short stacking energy: -80.193
Base-Backbone interact. energy: -0.246
local terms energy: -111.044846
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -28.291
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -22.171
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: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -284.016024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.016024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.016024 (E_RNA)
where:
Base-Base interactions energy: -181.850
where: short stacking energy: -86.655
Base-Backbone interact. energy: -0.802
local terms energy: -101.363998
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -17.091
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: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -249.239433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.239433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.239433 (E_RNA)
where:
Base-Base interactions energy: -147.825
where: short stacking energy: -58.227
Base-Backbone interact. energy: -0.114
local terms energy: -101.300344
where:
bonds (distance) C4'-P energy: -26.664
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -259.137519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.137519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.137519 (E_RNA)
where:
Base-Base interactions energy: -160.902
where: short stacking energy: -69.707
Base-Backbone interact. energy: 0.517
local terms energy: -98.752820
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -126.098264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.098264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.098264 (E_RNA)
where:
Base-Base interactions energy: -53.101
where: short stacking energy: -49.241
Base-Backbone interact. energy: -0.352
local terms energy: -72.645588
where:
bonds (distance) C4'-P energy: -26.669
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -135.441887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.441887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.441887 (E_RNA)
where:
Base-Base interactions energy: -65.448
where: short stacking energy: -47.976
Base-Backbone interact. energy: -0.235
local terms energy: -69.759163
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -8.368
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: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -400.628068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.628068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.628068 (E_RNA)
where:
Base-Base interactions energy: -276.606
where: short stacking energy: -115.972
Base-Backbone interact. energy: -1.798
local terms energy: -122.224098
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -28.969
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: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -317.016636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.016636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.016636 (E_RNA)
where:
Base-Base interactions energy: -201.341
where: short stacking energy: -99.179
Base-Backbone interact. energy: -0.033
local terms energy: -115.642667
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -25.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -330.943097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.943097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.943097 (E_RNA)
where:
Base-Base interactions energy: -215.776
where: short stacking energy: -94.941
Base-Backbone interact. energy: -1.363
local terms energy: -113.803743
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -309.148337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.148337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.148337 (E_RNA)
where:
Base-Base interactions energy: -193.852
where: short stacking energy: -104.786
Base-Backbone interact. energy: -0.100
local terms energy: -115.196084
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -26.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -304.395978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.395978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.395978 (E_RNA)
where:
Base-Base interactions energy: -194.819
where: short stacking energy: -86.153
Base-Backbone interact. energy: -0.124
local terms energy: -109.452552
where:
bonds (distance) C4'-P energy: -25.316
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -271.528786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.528786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.528786 (E_RNA)
where:
Base-Base interactions energy: -177.365
where: short stacking energy: -88.438
Base-Backbone interact. energy: -0.228
local terms energy: -93.935307
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -252.660419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.660419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.660419 (E_RNA)
where:
Base-Base interactions energy: -159.553
where: short stacking energy: -68.015
Base-Backbone interact. energy: -0.149
local terms energy: -92.958305
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -261.094466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.094466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.094466 (E_RNA)
where:
Base-Base interactions energy: -179.821
where: short stacking energy: -82.736
Base-Backbone interact. energy: -0.244
local terms energy: -81.030227
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -122.971538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.971538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.971538 (E_RNA)
where:
Base-Base interactions energy: -52.027
where: short stacking energy: -44.037
Base-Backbone interact. energy: -0.106
local terms energy: -70.839118
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -119.201477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.201477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.201477 (E_RNA)
where:
Base-Base interactions energy: -33.961
where: short stacking energy: -31.983
Base-Backbone interact. energy: -0.367
local terms energy: -84.873270
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -386.423243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.423243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.423243 (E_RNA)
where:
Base-Base interactions energy: -267.644
where: short stacking energy: -109.651
Base-Backbone interact. energy: -0.363
local terms energy: -118.415631
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -33.127
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: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -329.074709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.074709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.074709 (E_RNA)
where:
Base-Base interactions energy: -220.886
where: short stacking energy: -102.987
Base-Backbone interact. energy: -0.235
local terms energy: -107.953554
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -313.331712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.331712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.331712 (E_RNA)
where:
Base-Base interactions energy: -198.322
where: short stacking energy: -93.029
Base-Backbone interact. energy: -0.064
local terms energy: -114.945908
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -25.319
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -306.323528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.323528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.323528 (E_RNA)
where:
Base-Base interactions energy: -186.941
where: short stacking energy: -104.323
Base-Backbone interact. energy: -0.010
local terms energy: -119.373142
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -30.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -273.669469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.669469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.669469 (E_RNA)
where:
Base-Base interactions energy: -180.562
where: short stacking energy: -81.479
Base-Backbone interact. energy: 0.594
local terms energy: -93.701643
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -266.959399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.959399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.959399 (E_RNA)
where:
Base-Base interactions energy: -175.810
where: short stacking energy: -94.011
Base-Backbone interact. energy: -0.097
local terms energy: -91.052025
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -268.728920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.728920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.728920 (E_RNA)
where:
Base-Base interactions energy: -163.602
where: short stacking energy: -74.596
Base-Backbone interact. energy: -1.147
local terms energy: -103.979441
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -262.400939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.400939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.400939 (E_RNA)
where:
Base-Base interactions energy: -172.150
where: short stacking energy: -70.863
Base-Backbone interact. energy: -2.045
local terms energy: -88.205840
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -110.276892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.276892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.276892 (E_RNA)
where:
Base-Base interactions energy: -40.350
where: short stacking energy: -28.480
Base-Backbone interact. energy: -0.760
local terms energy: -69.166779
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: 2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -116.053521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.053521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.053521 (E_RNA)
where:
Base-Base interactions energy: -48.637
where: short stacking energy: -44.335
Base-Backbone interact. energy: -0.087
local terms energy: -67.329953
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -7.612
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)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -387.463929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.463929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.463929 (E_RNA)
where:
Base-Base interactions energy: -258.221
where: short stacking energy: -109.875
Base-Backbone interact. energy: -0.338
local terms energy: -128.904201
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -31.217
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -35.804
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: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -314.566259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.566259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.566259 (E_RNA)
where:
Base-Base interactions energy: -198.220
where: short stacking energy: -100.202
Base-Backbone interact. energy: -0.705
local terms energy: -115.640460
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -26.667
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -27.168
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: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -319.585698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.585698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.585698 (E_RNA)
where:
Base-Base interactions energy: -207.719
where: short stacking energy: -92.703
Base-Backbone interact. energy: -0.254
local terms energy: -111.612877
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -21.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -315.712532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.712532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.712532 (E_RNA)
where:
Base-Base interactions energy: -197.668
where: short stacking energy: -101.524
Base-Backbone interact. energy: -0.155
local terms energy: -117.889289
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -28.627
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -28.781
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: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -287.669734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.669734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.669734 (E_RNA)
where:
Base-Base interactions energy: -173.705
where: short stacking energy: -86.020
Base-Backbone interact. energy: -0.145
local terms energy: -113.819701
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -26.906
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -23.405
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: 6, replica: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -282.683580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.683580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.683580 (E_RNA)
where:
Base-Base interactions energy: -175.186
where: short stacking energy: -84.256
Base-Backbone interact. energy: -0.086
local terms energy: -107.411297
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -24.596
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -24.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -253.055236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.055236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.055236 (E_RNA)
where:
Base-Base interactions energy: -155.621
where: short stacking energy: -80.967
Base-Backbone interact. energy: -0.091
local terms energy: -97.343174
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -233.721619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.721619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.721619 (E_RNA)
where:
Base-Base interactions energy: -153.355
where: short stacking energy: -63.992
Base-Backbone interact. energy: -0.174
local terms energy: -80.192828
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -24.185
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -118.357511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.357511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.357511 (E_RNA)
where:
Base-Base interactions energy: -32.053
where: short stacking energy: -31.152
Base-Backbone interact. energy: -0.116
local terms energy: -86.188684
where:
bonds (distance) C4'-P energy: -24.612
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -16.899
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: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -112.593926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.593926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.593926 (E_RNA)
where:
Base-Base interactions energy: -44.366
where: short stacking energy: -43.169
Base-Backbone interact. energy: -0.119
local terms energy: -68.108447
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -386.300061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.300061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.300061 (E_RNA)
where:
Base-Base interactions energy: -272.596
where: short stacking energy: -107.742
Base-Backbone interact. energy: -0.366
local terms energy: -113.338031
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -29.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -324.436116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.436116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.436116 (E_RNA)
where:
Base-Base interactions energy: -212.917
where: short stacking energy: -91.581
Base-Backbone interact. energy: 0.027
local terms energy: -111.545531
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -21.853
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: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -314.107414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.107414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.107414 (E_RNA)
where:
Base-Base interactions energy: -207.958
where: short stacking energy: -94.135
Base-Backbone interact. energy: -0.257
local terms energy: -105.892653
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -300.340054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.340054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.340054 (E_RNA)
where:
Base-Base interactions energy: -196.207
where: short stacking energy: -88.659
Base-Backbone interact. energy: -0.170
local terms energy: -103.963015
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -282.726457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.726457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.726457 (E_RNA)
where:
Base-Base interactions energy: -179.733
where: short stacking energy: -88.030
Base-Backbone interact. energy: -0.247
local terms energy: -102.746332
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -252.206199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.206199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.206199 (E_RNA)
where:
Base-Base interactions energy: -160.690
where: short stacking energy: -66.448
Base-Backbone interact. energy: -0.346
local terms energy: -91.170129
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -23.939
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -10.926
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: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -252.925861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.925861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.925861 (E_RNA)
where:
Base-Base interactions energy: -156.449
where: short stacking energy: -76.730
Base-Backbone interact. energy: -0.753
local terms energy: -95.723862
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -29.164
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -15.826
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: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -251.439899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.439899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.439899 (E_RNA)
where:
Base-Base interactions energy: -167.988
where: short stacking energy: -71.743
Base-Backbone interact. energy: 2.067
local terms energy: -85.519235
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -134.870068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.870068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.870068 (E_RNA)
where:
Base-Base interactions energy: -50.172
where: short stacking energy: -34.446
Base-Backbone interact. energy: -0.431
local terms energy: -84.266942
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -112.116790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.116790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.116790 (E_RNA)
where:
Base-Base interactions energy: -46.725
where: short stacking energy: -41.861
Base-Backbone interact. energy: 0.376
local terms energy: -65.767227
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: 1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -392.847493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.847493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.847493 (E_RNA)
where:
Base-Base interactions energy: -268.798
where: short stacking energy: -113.925
Base-Backbone interact. energy: 0.188
local terms energy: -124.238172
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -31.834
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: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -322.831824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.831824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.831824 (E_RNA)
where:
Base-Base interactions energy: -209.932
where: short stacking energy: -94.885
Base-Backbone interact. energy: -0.409
local terms energy: -112.490860
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -320.288461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.288461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.288461 (E_RNA)
where:
Base-Base interactions energy: -214.580
where: short stacking energy: -101.118
Base-Backbone interact. energy: -0.138
local terms energy: -105.570859
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -25.385
flat angles C4'-P-C4' energy: -26.272
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -282.893817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.893817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.893817 (E_RNA)
where:
Base-Base interactions energy: -175.604
where: short stacking energy: -80.924
Base-Backbone interact. energy: -0.896
local terms energy: -106.392946
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -269.308060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.308060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.308060 (E_RNA)
where:
Base-Base interactions energy: -176.670
where: short stacking energy: -73.884
Base-Backbone interact. energy: -0.207
local terms energy: -92.431694
where:
bonds (distance) C4'-P energy: -27.103
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -12.663
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: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -255.104091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.104091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.104091 (E_RNA)
where:
Base-Base interactions energy: -160.461
where: short stacking energy: -73.551
Base-Backbone interact. energy: 0.014
local terms energy: -94.657037
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -22.544
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -258.235977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.235977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.235977 (E_RNA)
where:
Base-Base interactions energy: -176.028
where: short stacking energy: -81.029
Base-Backbone interact. energy: -0.258
local terms energy: -81.950206
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -245.227065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.227065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.227065 (E_RNA)
where:
Base-Base interactions energy: -152.915
where: short stacking energy: -69.584
Base-Backbone interact. energy: -0.365
local terms energy: -91.947095
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -113.800796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.800796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.800796 (E_RNA)
where:
Base-Base interactions energy: -24.932
where: short stacking energy: -24.932
Base-Backbone interact. energy: -0.464
local terms energy: -88.404199
where:
bonds (distance) C4'-P energy: -24.981
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -109.894700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.894700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.894700 (E_RNA)
where:
Base-Base interactions energy: -23.486
where: short stacking energy: -18.502
Base-Backbone interact. energy: -0.233
local terms energy: -86.176010
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -395.858851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.858851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.858851 (E_RNA)
where:
Base-Base interactions energy: -265.895
where: short stacking energy: -116.097
Base-Backbone interact. energy: -0.986
local terms energy: -128.978206
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -28.116
flat angles P-C4'-P energy: -21.236
tors. eta vs tors. theta energy: -31.335
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: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -312.603842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.603842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.603842 (E_RNA)
where:
Base-Base interactions energy: -198.509
where: short stacking energy: -88.623
Base-Backbone interact. energy: -1.774
local terms energy: -112.320488
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -27.135
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -16.444
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: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -320.164667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.164667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.164667 (E_RNA)
where:
Base-Base interactions energy: -213.599
where: short stacking energy: -98.898
Base-Backbone interact. energy: -0.088
local terms energy: -106.478078
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -27.135
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: 315
Temperature: 1.050000
Total energy: -311.882675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.882675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.882675 (E_RNA)
where:
Base-Base interactions energy: -194.558
where: short stacking energy: -88.895
Base-Backbone interact. energy: -0.302
local terms energy: -117.021921
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -23.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -268.161570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.161570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.161570 (E_RNA)
where:
Base-Base interactions energy: -164.702
where: short stacking energy: -82.930
Base-Backbone interact. energy: -0.056
local terms energy: -103.402730
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -278.228704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.228704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.228704 (E_RNA)
where:
Base-Base interactions energy: -167.437
where: short stacking energy: -76.181
Base-Backbone interact. energy: 0.100
local terms energy: -110.891566
where:
bonds (distance) C4'-P energy: -26.877
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -30.581
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -297.024830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.024830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.024830 (E_RNA)
where:
Base-Base interactions energy: -194.873
where: short stacking energy: -87.067
Base-Backbone interact. energy: -1.481
local terms energy: -100.670980
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -10.328
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: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -223.248338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.248338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.248338 (E_RNA)
where:
Base-Base interactions energy: -144.670
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.341
local terms energy: -78.237747
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -117.176067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.176067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.176067 (E_RNA)
where:
Base-Base interactions energy: -42.105
where: short stacking energy: -30.624
Base-Backbone interact. energy: 1.002
local terms energy: -76.073290
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -27.844
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -4.647
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: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -121.967043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.967043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.967043 (E_RNA)
where:
Base-Base interactions energy: -47.621
where: short stacking energy: -32.550
Base-Backbone interact. energy: -0.795
local terms energy: -73.550661
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: 5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -399.851395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.851395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.851395 (E_RNA)
where:
Base-Base interactions energy: -279.672
where: short stacking energy: -108.503
Base-Backbone interact. energy: 0.142
local terms energy: -120.321005
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -24.337
flat angles C4'-P-C4' energy: -26.107
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -32.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -318.559322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.559322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.559322 (E_RNA)
where:
Base-Base interactions energy: -212.807
where: short stacking energy: -95.207
Base-Backbone interact. energy: -0.130
local terms energy: -105.622323
where:
bonds (distance) C4'-P energy: -22.642
bonds (distance) P-C4' energy: -27.265
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -19.750
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: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -322.840251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.840251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.840251 (E_RNA)
where:
Base-Base interactions energy: -209.155
where: short stacking energy: -116.224
Base-Backbone interact. energy: -0.345
local terms energy: -113.340498
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -28.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -298.781229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.781229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.781229 (E_RNA)
where:
Base-Base interactions energy: -196.979
where: short stacking energy: -80.513
Base-Backbone interact. energy: -0.169
local terms energy: -101.632963
where:
bonds (distance) C4'-P energy: -25.189
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -24.247
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: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -299.003971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.003971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.003971 (E_RNA)
where:
Base-Base interactions energy: -182.763
where: short stacking energy: -86.226
Base-Backbone interact. energy: -0.018
local terms energy: -116.222357
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -26.923
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: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -265.088823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.088823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.088823 (E_RNA)
where:
Base-Base interactions energy: -160.205
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.455
local terms energy: -104.428838
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -14.525
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: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -225.539330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.539330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.539330 (E_RNA)
where:
Base-Base interactions energy: -142.871
where: short stacking energy: -62.987
Base-Backbone interact. energy: 1.042
local terms energy: -83.710595
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -262.116422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.116422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.116422 (E_RNA)
where:
Base-Base interactions energy: -161.207
where: short stacking energy: -70.365
Base-Backbone interact. energy: -0.295
local terms energy: -100.614153
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -14.381
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: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -127.824757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.824757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.824757 (E_RNA)
where:
Base-Base interactions energy: -66.158
where: short stacking energy: -35.337
Base-Backbone interact. energy: 0.516
local terms energy: -62.183124
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -11.825
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: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -114.934314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.934314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.934314 (E_RNA)
where:
Base-Base interactions energy: -52.181
where: short stacking energy: -43.029
Base-Backbone interact. energy: 4.117
local terms energy: -66.870103
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: 0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -386.502917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.502917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.502917 (E_RNA)
where:
Base-Base interactions energy: -271.248
where: short stacking energy: -113.017
Base-Backbone interact. energy: -0.300
local terms energy: -114.954772
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -312.932810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.932810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.932810 (E_RNA)
where:
Base-Base interactions energy: -202.686
where: short stacking energy: -94.736
Base-Backbone interact. energy: -0.054
local terms energy: -110.193053
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -23.245
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: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -311.310636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.310636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.310636 (E_RNA)
where:
Base-Base interactions energy: -191.647
where: short stacking energy: -98.335
Base-Backbone interact. energy: -0.172
local terms energy: -119.491490
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -32.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -294.677059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.677059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.677059 (E_RNA)
where:
Base-Base interactions energy: -179.681
where: short stacking energy: -84.765
Base-Backbone interact. energy: -0.769
local terms energy: -114.226958
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -25.354
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -21.055
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: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -287.428479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.428479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.428479 (E_RNA)
where:
Base-Base interactions energy: -177.081
where: short stacking energy: -96.062
Base-Backbone interact. energy: -0.100
local terms energy: -110.247497
where:
bonds (distance) C4'-P energy: -26.778
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -26.761
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -285.910900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.910900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.910900 (E_RNA)
where:
Base-Base interactions energy: -180.562
where: short stacking energy: -73.593
Base-Backbone interact. energy: -1.064
local terms energy: -104.284447
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -218.579808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.579808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.579808 (E_RNA)
where:
Base-Base interactions energy: -133.989
where: short stacking energy: -67.321
Base-Backbone interact. energy: 0.453
local terms energy: -85.044065
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -9.721
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: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -254.930785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.930785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.930785 (E_RNA)
where:
Base-Base interactions energy: -160.283
where: short stacking energy: -66.611
Base-Backbone interact. energy: -2.456
local terms energy: -92.191436
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -11.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -132.109091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.109091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.109091 (E_RNA)
where:
Base-Base interactions energy: -49.567
where: short stacking energy: -37.352
Base-Backbone interact. energy: 0.453
local terms energy: -82.995318
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -27.553
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -4.079
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: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -112.383801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.383801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.383801 (E_RNA)
where:
Base-Base interactions energy: -43.180
where: short stacking energy: -29.648
Base-Backbone interact. energy: -0.381
local terms energy: -68.823512
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -396.159152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.159152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.159152 (E_RNA)
where:
Base-Base interactions energy: -267.500
where: short stacking energy: -116.571
Base-Backbone interact. energy: -0.135
local terms energy: -128.524541
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -36.056
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: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -307.731682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.731682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.731682 (E_RNA)
where:
Base-Base interactions energy: -191.322
where: short stacking energy: -95.491
Base-Backbone interact. energy: -0.434
local terms energy: -115.975861
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -24.344
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: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -318.110863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.110863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.110863 (E_RNA)
where:
Base-Base interactions energy: -202.875
where: short stacking energy: -95.641
Base-Backbone interact. energy: -0.169
local terms energy: -115.066580
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -26.731
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -27.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -284.804766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.804766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.804766 (E_RNA)
where:
Base-Base interactions energy: -182.361
where: short stacking energy: -85.821
Base-Backbone interact. energy: -0.091
local terms energy: -102.352505
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -276.703399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.703399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.703399 (E_RNA)
where:
Base-Base interactions energy: -162.356
where: short stacking energy: -83.815
Base-Backbone interact. energy: -0.056
local terms energy: -114.291240
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -18.663
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: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -254.317775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.317775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.317775 (E_RNA)
where:
Base-Base interactions energy: -151.639
where: short stacking energy: -74.446
Base-Backbone interact. energy: -0.079
local terms energy: -102.599301
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -263.591369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.591369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.591369 (E_RNA)
where:
Base-Base interactions energy: -165.969
where: short stacking energy: -72.414
Base-Backbone interact. energy: 0.654
local terms energy: -98.276129
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -18.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -230.348521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.348521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.348521 (E_RNA)
where:
Base-Base interactions energy: -150.096
where: short stacking energy: -56.052
Base-Backbone interact. energy: -0.585
local terms energy: -79.667099
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -22.407
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -107.243131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.243131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.243131 (E_RNA)
where:
Base-Base interactions energy: -44.291
where: short stacking energy: -26.374
Base-Backbone interact. energy: 0.595
local terms energy: -63.546977
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: 8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -110.499210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.499210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.499210 (E_RNA)
where:
Base-Base interactions energy: -36.595
where: short stacking energy: -26.055
Base-Backbone interact. energy: -0.912
local terms energy: -72.991639
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -14.300
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: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -395.267253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.267253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.267253 (E_RNA)
where:
Base-Base interactions energy: -282.139
where: short stacking energy: -112.761
Base-Backbone interact. energy: -1.849
local terms energy: -111.278852
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -28.418
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: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -334.331112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.331112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.331112 (E_RNA)
where:
Base-Base interactions energy: -213.381
where: short stacking energy: -91.924
Base-Backbone interact. energy: -0.629
local terms energy: -120.321779
where:
bonds (distance) C4'-P energy: -21.972
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -28.672
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: -29.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -286.007891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.007891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.007891 (E_RNA)
where:
Base-Base interactions energy: -179.178
where: short stacking energy: -86.746
Base-Backbone interact. energy: -0.649
local terms energy: -106.181247
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -26.733
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -303.894213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.894213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.894213 (E_RNA)
where:
Base-Base interactions energy: -193.497
where: short stacking energy: -104.671
Base-Backbone interact. energy: -0.040
local terms energy: -110.357366
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -29.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -292.628777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.628777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.628777 (E_RNA)
where:
Base-Base interactions energy: -180.196
where: short stacking energy: -82.416
Base-Backbone interact. energy: 0.279
local terms energy: -112.712070
where:
bonds (distance) C4'-P energy: -26.499
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -272.264021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.264021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.264021 (E_RNA)
where:
Base-Base interactions energy: -159.966
where: short stacking energy: -79.787
Base-Backbone interact. energy: 0.123
local terms energy: -112.421385
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -249.470630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.470630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.470630 (E_RNA)
where:
Base-Base interactions energy: -151.218
where: short stacking energy: -65.659
Base-Backbone interact. energy: 0.100
local terms energy: -98.352519
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -25.887
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -14.001
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: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -239.439750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.439750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.439750 (E_RNA)
where:
Base-Base interactions energy: -150.630
where: short stacking energy: -67.397
Base-Backbone interact. energy: -0.941
local terms energy: -87.869407
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -18.179
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: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -132.736038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.736038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.736038 (E_RNA)
where:
Base-Base interactions energy: -51.683
where: short stacking energy: -38.131
Base-Backbone interact. energy: -0.431
local terms energy: -80.621555
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -8.731
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: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -116.208218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.208218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.208218 (E_RNA)
where:
Base-Base interactions energy: -49.427
where: short stacking energy: -45.158
Base-Backbone interact. energy: 2.718
local terms energy: -69.499690
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -11.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -395.484438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.484438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.484438 (E_RNA)
where:
Base-Base interactions energy: -259.561
where: short stacking energy: -105.294
Base-Backbone interact. energy: -1.166
local terms energy: -134.757397
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -29.806
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: -30.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -330.974434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.974434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.974434 (E_RNA)
where:
Base-Base interactions energy: -211.946
where: short stacking energy: -91.111
Base-Backbone interact. energy: -0.931
local terms energy: -118.097548
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -25.246
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: 320
Temperature: 1.000000
Total energy: -295.513310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.513310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.513310 (E_RNA)
where:
Base-Base interactions energy: -180.564
where: short stacking energy: -92.393
Base-Backbone interact. energy: -0.934
local terms energy: -114.015903
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -24.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -292.985514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.985514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.985514 (E_RNA)
where:
Base-Base interactions energy: -187.069
where: short stacking energy: -82.253
Base-Backbone interact. energy: -0.229
local terms energy: -105.687336
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -18.727
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: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -266.651917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.651917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.651917 (E_RNA)
where:
Base-Base interactions energy: -162.673
where: short stacking energy: -82.544
Base-Backbone interact. energy: -0.729
local terms energy: -103.249960
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -20.535
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: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -288.352529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.352529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.352529 (E_RNA)
where:
Base-Base interactions energy: -185.104
where: short stacking energy: -92.597
Base-Backbone interact. energy: -0.655
local terms energy: -102.593706
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -26.607
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: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -263.030702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.030702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.030702 (E_RNA)
where:
Base-Base interactions energy: -167.216
where: short stacking energy: -77.947
Base-Backbone interact. energy: -0.130
local terms energy: -95.685004
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -266.424290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.424290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.424290 (E_RNA)
where:
Base-Base interactions energy: -166.090
where: short stacking energy: -75.699
Base-Backbone interact. energy: -0.868
local terms energy: -99.467050
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -18.072
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -127.444573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.444573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.444573 (E_RNA)
where:
Base-Base interactions energy: -47.802
where: short stacking energy: -42.603
Base-Backbone interact. energy: -0.478
local terms energy: -79.164194
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -9.401
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: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -100.972415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.972415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.972415 (E_RNA)
where:
Base-Base interactions energy: -32.343
where: short stacking energy: -22.931
Base-Backbone interact. energy: -0.656
local terms energy: -67.973298
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -4.060
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: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -399.600719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.600719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.600719 (E_RNA)
where:
Base-Base interactions energy: -275.983
where: short stacking energy: -124.281
Base-Backbone interact. energy: -0.514
local terms energy: -123.103704
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -34.832
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: 321
Temperature: 0.950000
Total energy: -314.587245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.587245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.587245 (E_RNA)
where:
Base-Base interactions energy: -195.100
where: short stacking energy: -97.608
Base-Backbone interact. energy: -2.032
local terms energy: -117.455137
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -33.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -303.781719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.781719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.781719 (E_RNA)
where:
Base-Base interactions energy: -196.320
where: short stacking energy: -88.657
Base-Backbone interact. energy: 2.293
local terms energy: -109.754567
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -308.750503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.750503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.750503 (E_RNA)
where:
Base-Base interactions energy: -190.741
where: short stacking energy: -93.608
Base-Backbone interact. energy: -0.463
local terms energy: -117.546848
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -26.298
flat angles C4'-P-C4' energy: -28.780
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -23.028
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: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -287.224940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.224940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.224940 (E_RNA)
where:
Base-Base interactions energy: -183.410
where: short stacking energy: -85.517
Base-Backbone interact. energy: 0.107
local terms energy: -103.921653
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -27.389
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: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -294.024906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.024906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.024906 (E_RNA)
where:
Base-Base interactions energy: -191.459
where: short stacking energy: -90.404
Base-Backbone interact. energy: -0.021
local terms energy: -102.544067
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -25.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -263.985382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.985382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.985382 (E_RNA)
where:
Base-Base interactions energy: -168.336
where: short stacking energy: -72.163
Base-Backbone interact. energy: -0.360
local terms energy: -95.289145
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -10.068
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: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -242.161311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.161311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.161311 (E_RNA)
where:
Base-Base interactions energy: -139.841
where: short stacking energy: -64.096
Base-Backbone interact. energy: -0.098
local terms energy: -102.221691
where:
bonds (distance) C4'-P energy: -27.694
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -122.103150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.103150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.103150 (E_RNA)
where:
Base-Base interactions energy: -40.487
where: short stacking energy: -38.528
Base-Backbone interact. energy: -0.242
local terms energy: -81.375060
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -117.962703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.962703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.962703 (E_RNA)
where:
Base-Base interactions energy: -43.041
where: short stacking energy: -37.616
Base-Backbone interact. energy: -1.085
local terms energy: -73.836704
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: 2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -395.110969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.110969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.110969 (E_RNA)
where:
Base-Base interactions energy: -277.443
where: short stacking energy: -109.206
Base-Backbone interact. energy: -0.581
local terms energy: -117.086892
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -27.856
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -30.105
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: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -308.608294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.608294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.608294 (E_RNA)
where:
Base-Base interactions energy: -195.361
where: short stacking energy: -99.315
Base-Backbone interact. energy: -0.228
local terms energy: -113.019181
where:
bonds (distance) C4'-P energy: -28.615
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -313.187216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.187216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.187216 (E_RNA)
where:
Base-Base interactions energy: -200.451
where: short stacking energy: -90.994
Base-Backbone interact. energy: 1.367
local terms energy: -114.103182
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -25.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -286.141943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.141943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.141943 (E_RNA)
where:
Base-Base interactions energy: -194.741
where: short stacking energy: -77.064
Base-Backbone interact. energy: -0.085
local terms energy: -91.316110
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -16.023
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: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -295.495353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.495353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.495353 (E_RNA)
where:
Base-Base interactions energy: -189.775
where: short stacking energy: -90.508
Base-Backbone interact. energy: -0.817
local terms energy: -104.903930
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -24.808
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -270.800942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.800942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.800942 (E_RNA)
where:
Base-Base interactions energy: -167.227
where: short stacking energy: -78.929
Base-Backbone interact. energy: -0.038
local terms energy: -103.535163
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -274.035211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.035211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.035211 (E_RNA)
where:
Base-Base interactions energy: -171.646
where: short stacking energy: -74.755
Base-Backbone interact. energy: 0.959
local terms energy: -103.348287
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -16.298
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: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -249.894314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.894314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.894314 (E_RNA)
where:
Base-Base interactions energy: -163.771
where: short stacking energy: -76.062
Base-Backbone interact. energy: -1.196
local terms energy: -84.927951
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -17.937
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: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -116.144192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.144192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.144192 (E_RNA)
where:
Base-Base interactions energy: -43.090
where: short stacking energy: -37.510
Base-Backbone interact. energy: -0.511
local terms energy: -72.543815
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -112.419588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.419588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.419588 (E_RNA)
where:
Base-Base interactions energy: -49.919
where: short stacking energy: -45.644
Base-Backbone interact. energy: 1.835
local terms energy: -64.335018
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: 1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -386.771793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.771793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.771793 (E_RNA)
where:
Base-Base interactions energy: -267.505
where: short stacking energy: -110.393
Base-Backbone interact. energy: -1.256
local terms energy: -118.010200
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -27.468
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: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -312.039478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.039478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.039478 (E_RNA)
where:
Base-Base interactions energy: -196.464
where: short stacking energy: -95.560
Base-Backbone interact. energy: -0.165
local terms energy: -115.411275
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -27.635
flat angles C4'-P-C4' energy: -24.031
flat angles P-C4'-P energy: -18.890
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: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -312.368509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.368509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.368509 (E_RNA)
where:
Base-Base interactions energy: -208.982
where: short stacking energy: -90.558
Base-Backbone interact. energy: -0.717
local terms energy: -102.669167
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -11.539
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: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -296.054095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.054095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.054095 (E_RNA)
where:
Base-Base interactions energy: -197.383
where: short stacking energy: -90.912
Base-Backbone interact. energy: -0.214
local terms energy: -98.456774
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -24.694
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -304.212702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.212702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.212702 (E_RNA)
where:
Base-Base interactions energy: -190.232
where: short stacking energy: -87.186
Base-Backbone interact. energy: -0.334
local terms energy: -113.646723
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -268.783146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.783146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.783146 (E_RNA)
where:
Base-Base interactions energy: -157.406
where: short stacking energy: -67.882
Base-Backbone interact. energy: -0.776
local terms energy: -110.600843
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -28.331
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -274.746543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.746543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.746543 (E_RNA)
where:
Base-Base interactions energy: -168.446
where: short stacking energy: -73.066
Base-Backbone interact. energy: -0.037
local terms energy: -106.263114
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -24.591
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -263.652878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.652878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.652878 (E_RNA)
where:
Base-Base interactions energy: -160.178
where: short stacking energy: -76.732
Base-Backbone interact. energy: -0.610
local terms energy: -102.864801
where:
bonds (distance) C4'-P energy: -28.010
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -18.553
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: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -124.268535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.268535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.268535 (E_RNA)
where:
Base-Base interactions energy: -41.027
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.151
local terms energy: -83.089916
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -121.210029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.210029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.210029 (E_RNA)
where:
Base-Base interactions energy: -52.292
where: short stacking energy: -53.238
Base-Backbone interact. energy: -0.133
local terms energy: -68.784718
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -8.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -395.445123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.445123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.445123 (E_RNA)
where:
Base-Base interactions energy: -285.805
where: short stacking energy: -121.559
Base-Backbone interact. energy: -0.371
local terms energy: -109.268916
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -33.279
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: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -301.430817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.430817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.430817 (E_RNA)
where:
Base-Base interactions energy: -195.467
where: short stacking energy: -89.627
Base-Backbone interact. energy: -0.822
local terms energy: -105.141752
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -28.389
flat angles P-C4'-P energy: -18.312
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: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -314.864824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.864824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.864824 (E_RNA)
where:
Base-Base interactions energy: -203.987
where: short stacking energy: -87.401
Base-Backbone interact. energy: -0.091
local terms energy: -110.786673
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -22.448
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: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -298.293702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.293702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.293702 (E_RNA)
where:
Base-Base interactions energy: -186.588
where: short stacking energy: -85.319
Base-Backbone interact. energy: -0.191
local terms energy: -111.513993
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -19.966
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: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -307.326120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.326120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.326120 (E_RNA)
where:
Base-Base interactions energy: -203.158
where: short stacking energy: -93.146
Base-Backbone interact. energy: 0.592
local terms energy: -104.759932
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -258.088122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.088122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.088122 (E_RNA)
where:
Base-Base interactions energy: -167.139
where: short stacking energy: -81.169
Base-Backbone interact. energy: 0.338
local terms energy: -91.287166
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -263.034086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.034086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.034086 (E_RNA)
where:
Base-Base interactions energy: -177.198
where: short stacking energy: -77.678
Base-Backbone interact. energy: -0.214
local terms energy: -85.621699
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -264.351304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.351304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.351304 (E_RNA)
where:
Base-Base interactions energy: -177.882
where: short stacking energy: -78.205
Base-Backbone interact. energy: -0.345
local terms energy: -86.124356
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -120.262564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.262564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.262564 (E_RNA)
where:
Base-Base interactions energy: -34.064
where: short stacking energy: -34.064
Base-Backbone interact. energy: 0.001
local terms energy: -86.199978
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -111.823350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.823350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.823350 (E_RNA)
where:
Base-Base interactions energy: -39.990
where: short stacking energy: -39.455
Base-Backbone interact. energy: -0.423
local terms energy: -71.409654
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: 0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -393.866048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.866048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.866048 (E_RNA)
where:
Base-Base interactions energy: -271.432
where: short stacking energy: -113.747
Base-Backbone interact. energy: -1.264
local terms energy: -121.169740
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -33.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -313.276380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.276380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.276380 (E_RNA)
where:
Base-Base interactions energy: -207.012
where: short stacking energy: -89.271
Base-Backbone interact. energy: -0.211
local terms energy: -106.053963
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -308.639063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.639063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.639063 (E_RNA)
where:
Base-Base interactions energy: -201.550
where: short stacking energy: -103.141
Base-Backbone interact. energy: 0.926
local terms energy: -108.014201
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -305.628500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.628500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.628500 (E_RNA)
where:
Base-Base interactions energy: -202.648
where: short stacking energy: -87.661
Base-Backbone interact. energy: 2.791
local terms energy: -105.771173
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -28.341
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -301.906349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.906349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.906349 (E_RNA)
where:
Base-Base interactions energy: -210.324
where: short stacking energy: -76.312
Base-Backbone interact. energy: 0.494
local terms energy: -92.076240
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -14.754
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: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -278.346092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.346092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.346092 (E_RNA)
where:
Base-Base interactions energy: -178.601
where: short stacking energy: -85.290
Base-Backbone interact. energy: -0.143
local terms energy: -99.601579
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -26.832
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: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -249.960523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.960523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.960523 (E_RNA)
where:
Base-Base interactions energy: -151.505
where: short stacking energy: -83.380
Base-Backbone interact. energy: -0.430
local terms energy: -98.025765
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -255.096247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.096247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.096247 (E_RNA)
where:
Base-Base interactions energy: -149.221
where: short stacking energy: -74.543
Base-Backbone interact. energy: -0.318
local terms energy: -105.557253
where:
bonds (distance) C4'-P energy: -24.359
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -29.367
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -121.599033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.599033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.599033 (E_RNA)
where:
Base-Base interactions energy: -34.271
where: short stacking energy: -33.791
Base-Backbone interact. energy: -0.367
local terms energy: -86.961413
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -103.219352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.219352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.219352 (E_RNA)
where:
Base-Base interactions energy: -35.721
where: short stacking energy: -36.535
Base-Backbone interact. energy: 0.502
local terms energy: -68.000055
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -2.378
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: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -401.365338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.365338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.365338 (E_RNA)
where:
Base-Base interactions energy: -280.443
where: short stacking energy: -113.320
Base-Backbone interact. energy: -1.616
local terms energy: -119.305745
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -32.440
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: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -308.348506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.348506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.348506 (E_RNA)
where:
Base-Base interactions energy: -191.622
where: short stacking energy: -94.536
Base-Backbone interact. energy: -0.735
local terms energy: -115.991482
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -24.621
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -323.503558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.503558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.503558 (E_RNA)
where:
Base-Base interactions energy: -210.068
where: short stacking energy: -106.280
Base-Backbone interact. energy: -0.068
local terms energy: -113.367859
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -26.151
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -28.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -298.996134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.996134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.996134 (E_RNA)
where:
Base-Base interactions energy: -203.635
where: short stacking energy: -90.768
Base-Backbone interact. energy: 0.224
local terms energy: -95.584584
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -25.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -310.540873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.540873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.540873 (E_RNA)
where:
Base-Base interactions energy: -204.264
where: short stacking energy: -73.207
Base-Backbone interact. energy: 0.028
local terms energy: -106.305266
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -18.501
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: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -274.164259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.164259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.164259 (E_RNA)
where:
Base-Base interactions energy: -176.511
where: short stacking energy: -81.145
Base-Backbone interact. energy: -0.295
local terms energy: -97.358340
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -255.612792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.612792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.612792 (E_RNA)
where:
Base-Base interactions energy: -155.855
where: short stacking energy: -81.196
Base-Backbone interact. energy: -0.244
local terms energy: -99.513561
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -22.600
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -244.722013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.722013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.722013 (E_RNA)
where:
Base-Base interactions energy: -149.829
where: short stacking energy: -62.545
Base-Backbone interact. energy: -0.259
local terms energy: -94.634154
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -15.847
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: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -113.472168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.472168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.472168 (E_RNA)
where:
Base-Base interactions energy: -36.772
where: short stacking energy: -37.572
Base-Backbone interact. energy: 0.416
local terms energy: -77.116527
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -1.521
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: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -126.652896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.652896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.652896 (E_RNA)
where:
Base-Base interactions energy: -39.816
where: short stacking energy: -39.342
Base-Backbone interact. energy: -0.562
local terms energy: -86.274604
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -4.198
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: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -396.337247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.337247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.337247 (E_RNA)
where:
Base-Base interactions energy: -272.139
where: short stacking energy: -115.694
Base-Backbone interact. energy: -0.066
local terms energy: -124.131851
where:
bonds (distance) C4'-P energy: -24.152
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -35.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -306.076892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.076892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.076892 (E_RNA)
where:
Base-Base interactions energy: -200.558
where: short stacking energy: -94.523
Base-Backbone interact. energy: -0.184
local terms energy: -105.334109
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -29.928
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -16.400
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: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -305.201101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.201101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.201101 (E_RNA)
where:
Base-Base interactions energy: -186.964
where: short stacking energy: -99.474
Base-Backbone interact. energy: -0.038
local terms energy: -118.198965
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: -22.975
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: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -285.496940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.496940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.496940 (E_RNA)
where:
Base-Base interactions energy: -190.866
where: short stacking energy: -66.580
Base-Backbone interact. energy: -1.190
local terms energy: -93.440917
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -15.657
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: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -305.250221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.250221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.250221 (E_RNA)
where:
Base-Base interactions energy: -189.921
where: short stacking energy: -88.854
Base-Backbone interact. energy: 0.830
local terms energy: -116.158920
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -21.852
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: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -269.430990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.430990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.430990 (E_RNA)
where:
Base-Base interactions energy: -176.229
where: short stacking energy: -72.194
Base-Backbone interact. energy: -0.255
local terms energy: -92.947127
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -14.099
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: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -266.224949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.224949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.224949 (E_RNA)
where:
Base-Base interactions energy: -151.382
where: short stacking energy: -78.269
Base-Backbone interact. energy: -0.103
local terms energy: -114.740495
where:
bonds (distance) C4'-P energy: -26.254
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -24.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -253.441349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.441349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.441349 (E_RNA)
where:
Base-Base interactions energy: -147.783
where: short stacking energy: -77.136
Base-Backbone interact. energy: -0.677
local terms energy: -104.980925
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -125.417349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.417349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.417349 (E_RNA)
where:
Base-Base interactions energy: -63.394
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.571
local terms energy: -61.451959
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -7.361
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: 10, replica: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -109.592962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.592962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.592962 (E_RNA)
where:
Base-Base interactions energy: -35.645
where: short stacking energy: -36.108
Base-Backbone interact. energy: -0.494
local terms energy: -73.453231
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -395.214739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.214739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.214739 (E_RNA)
where:
Base-Base interactions energy: -263.573
where: short stacking energy: -113.964
Base-Backbone interact. energy: -0.892
local terms energy: -130.749022
where:
bonds (distance) C4'-P energy: -26.578
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -29.985
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: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -314.374182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.374182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.374182 (E_RNA)
where:
Base-Base interactions energy: -193.175
where: short stacking energy: -98.967
Base-Backbone interact. energy: -0.091
local terms energy: -121.108372
where:
bonds (distance) C4'-P energy: -25.887
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -22.602
tors. eta vs tors. theta energy: -24.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -314.064898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.064898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.064898 (E_RNA)
where:
Base-Base interactions energy: -201.966
where: short stacking energy: -87.470
Base-Backbone interact. energy: -0.725
local terms energy: -111.373912
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -28.878
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -293.131990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.131990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.131990 (E_RNA)
where:
Base-Base interactions energy: -186.074
where: short stacking energy: -85.815
Base-Backbone interact. energy: -0.619
local terms energy: -106.439671
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -23.866
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -18.194
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: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -275.439711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.439711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.439711 (E_RNA)
where:
Base-Base interactions energy: -180.043
where: short stacking energy: -88.375
Base-Backbone interact. energy: -0.606
local terms energy: -94.790903
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -21.738
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -286.765878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.765878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.765878 (E_RNA)
where:
Base-Base interactions energy: -182.108
where: short stacking energy: -85.015
Base-Backbone interact. energy: -0.325
local terms energy: -104.332682
where:
bonds (distance) C4'-P energy: -26.624
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -241.408655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.408655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.408655 (E_RNA)
where:
Base-Base interactions energy: -149.157
where: short stacking energy: -57.371
Base-Backbone interact. energy: -0.683
local terms energy: -91.568108
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -244.025439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.025439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.025439 (E_RNA)
where:
Base-Base interactions energy: -157.030
where: short stacking energy: -71.784
Base-Backbone interact. energy: -0.364
local terms energy: -86.632244
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -17.255
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: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -124.607900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.607900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.607900 (E_RNA)
where:
Base-Base interactions energy: -46.734
where: short stacking energy: -43.604
Base-Backbone interact. energy: -0.116
local terms energy: -77.758023
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -129.222548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.222548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.222548 (E_RNA)
where:
Base-Base interactions energy: -38.169
where: short stacking energy: -35.391
Base-Backbone interact. energy: -0.117
local terms energy: -90.936837
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -399.038367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.038367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.038367 (E_RNA)
where:
Base-Base interactions energy: -264.985
where: short stacking energy: -110.973
Base-Backbone interact. energy: -0.319
local terms energy: -133.734121
where:
bonds (distance) C4'-P energy: -27.537
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -26.962
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: -30.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -321.819541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.819541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.819541 (E_RNA)
where:
Base-Base interactions energy: -196.834
where: short stacking energy: -95.307
Base-Backbone interact. energy: -0.239
local terms energy: -124.746312
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -28.656
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: 329
Temperature: 1.000000
Total energy: -296.398592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.398592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.398592 (E_RNA)
where:
Base-Base interactions energy: -181.621
where: short stacking energy: -87.670
Base-Backbone interact. energy: -0.142
local terms energy: -114.635814
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -312.048120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.048120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.048120 (E_RNA)
where:
Base-Base interactions energy: -203.124
where: short stacking energy: -93.905
Base-Backbone interact. energy: -0.097
local terms energy: -108.827278
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -25.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -293.577416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.577416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.577416 (E_RNA)
where:
Base-Base interactions energy: -194.295
where: short stacking energy: -90.704
Base-Backbone interact. energy: -0.495
local terms energy: -98.787247
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -317.480596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.480596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.480596 (E_RNA)
where:
Base-Base interactions energy: -209.662
where: short stacking energy: -99.184
Base-Backbone interact. energy: -0.137
local terms energy: -107.681512
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -24.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -271.675535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.675535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.675535 (E_RNA)
where:
Base-Base interactions energy: -151.416
where: short stacking energy: -64.969
Base-Backbone interact. energy: 0.562
local terms energy: -120.821465
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -234.196302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.196302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.196302 (E_RNA)
where:
Base-Base interactions energy: -141.363
where: short stacking energy: -71.111
Base-Backbone interact. energy: -0.146
local terms energy: -92.686985
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -27.741
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -142.012287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.012287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.012287 (E_RNA)
where:
Base-Base interactions energy: -73.879
where: short stacking energy: -20.100
Base-Backbone interact. energy: -0.806
local terms energy: -67.328237
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -8.096
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: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -110.597613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.597613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.597613 (E_RNA)
where:
Base-Base interactions energy: -51.954
where: short stacking energy: -38.332
Base-Backbone interact. energy: 7.511
local terms energy: -66.155467
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -394.163692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.163692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.163692 (E_RNA)
where:
Base-Base interactions energy: -263.243
where: short stacking energy: -108.855
Base-Backbone interact. energy: -0.343
local terms energy: -130.577563
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -30.098
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -31.226
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: 330
Temperature: 0.950000
Total energy: -333.875272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.875272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.875272 (E_RNA)
where:
Base-Base interactions energy: -205.532
where: short stacking energy: -109.145
Base-Backbone interact. energy: -0.743
local terms energy: -127.600062
where:
bonds (distance) C4'-P energy: -29.488
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -27.155
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -28.073
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: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -312.731003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.731003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.731003 (E_RNA)
where:
Base-Base interactions energy: -195.887
where: short stacking energy: -105.219
Base-Backbone interact. energy: -0.022
local terms energy: -116.822141
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -31.441
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: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -292.153633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.153633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.153633 (E_RNA)
where:
Base-Base interactions energy: -187.453
where: short stacking energy: -92.372
Base-Backbone interact. energy: 0.406
local terms energy: -105.106349
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -24.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -284.951803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.951803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.951803 (E_RNA)
where:
Base-Base interactions energy: -183.768
where: short stacking energy: -81.514
Base-Backbone interact. energy: -0.267
local terms energy: -100.916723
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -21.396
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: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -281.705036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.705036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.705036 (E_RNA)
where:
Base-Base interactions energy: -178.097
where: short stacking energy: -79.428
Base-Backbone interact. energy: -0.097
local terms energy: -103.510865
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -25.665
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: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -272.864320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.864320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.864320 (E_RNA)
where:
Base-Base interactions energy: -177.791
where: short stacking energy: -79.277
Base-Backbone interact. energy: -0.058
local terms energy: -95.015187
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -17.271
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: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -213.287269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.287269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.287269 (E_RNA)
where:
Base-Base interactions energy: -129.221
where: short stacking energy: -59.809
Base-Backbone interact. energy: -0.345
local terms energy: -83.721789
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -131.208247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.208247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.208247 (E_RNA)
where:
Base-Base interactions energy: -74.035
where: short stacking energy: -36.146
Base-Backbone interact. energy: 1.516
local terms energy: -58.689357
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -14.047
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: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -115.943518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.943518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.943518 (E_RNA)
where:
Base-Base interactions energy: -47.640
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.162
local terms energy: -68.141407
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -389.028991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.028991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.028991 (E_RNA)
where:
Base-Base interactions energy: -261.413
where: short stacking energy: -117.954
Base-Backbone interact. energy: -0.034
local terms energy: -127.582384
where:
bonds (distance) C4'-P energy: -24.142
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -35.778
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: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -336.845186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.845186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.845186 (E_RNA)
where:
Base-Base interactions energy: -217.153
where: short stacking energy: -108.751
Base-Backbone interact. energy: 0.184
local terms energy: -119.876206
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -22.950
tors. eta vs tors. theta energy: -30.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -318.017961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.017961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.017961 (E_RNA)
where:
Base-Base interactions energy: -199.982
where: short stacking energy: -92.755
Base-Backbone interact. energy: -0.204
local terms energy: -117.832041
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -24.375
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -285.217782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.217782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.217782 (E_RNA)
where:
Base-Base interactions energy: -186.162
where: short stacking energy: -88.833
Base-Backbone interact. energy: -0.203
local terms energy: -98.853057
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -291.077698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.077698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.077698 (E_RNA)
where:
Base-Base interactions energy: -194.000
where: short stacking energy: -91.940
Base-Backbone interact. energy: -0.118
local terms energy: -96.959994
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -25.474
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -282.119226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.119226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.119226 (E_RNA)
where:
Base-Base interactions energy: -173.891
where: short stacking energy: -96.246
Base-Backbone interact. energy: -1.338
local terms energy: -106.890981
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -24.727
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: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -270.646679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.646679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.646679 (E_RNA)
where:
Base-Base interactions energy: -172.855
where: short stacking energy: -91.036
Base-Backbone interact. energy: -0.091
local terms energy: -97.700723
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -25.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -244.667216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.667216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.667216 (E_RNA)
where:
Base-Base interactions energy: -152.119
where: short stacking energy: -71.350
Base-Backbone interact. energy: -0.156
local terms energy: -92.392035
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -14.717
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: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -116.080689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.080689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.080689 (E_RNA)
where:
Base-Base interactions energy: -37.737
where: short stacking energy: -24.222
Base-Backbone interact. energy: -0.479
local terms energy: -77.865040
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -113.062321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.062321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.062321 (E_RNA)
where:
Base-Base interactions energy: -42.430
where: short stacking energy: -33.668
Base-Backbone interact. energy: -0.290
local terms energy: -70.342759
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -3.504
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -394.673335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.673335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.673335 (E_RNA)
where:
Base-Base interactions energy: -268.494
where: short stacking energy: -111.819
Base-Backbone interact. energy: -0.086
local terms energy: -126.094033
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -26.520
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -34.961
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: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -322.332053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.332053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.332053 (E_RNA)
where:
Base-Base interactions energy: -196.789
where: short stacking energy: -94.440
Base-Backbone interact. energy: -0.010
local terms energy: -125.533050
where:
bonds (distance) C4'-P energy: -27.422
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -30.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -313.322218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.322218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.322218 (E_RNA)
where:
Base-Base interactions energy: -200.722
where: short stacking energy: -86.404
Base-Backbone interact. energy: -0.520
local terms energy: -112.080102
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -284.520264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.520264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.520264 (E_RNA)
where:
Base-Base interactions energy: -182.613
where: short stacking energy: -85.125
Base-Backbone interact. energy: -1.160
local terms energy: -100.747538
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -19.243
tors. eta vs tors. theta energy: -14.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -292.073269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.073269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.073269 (E_RNA)
where:
Base-Base interactions energy: -188.911
where: short stacking energy: -85.508
Base-Backbone interact. energy: -0.101
local terms energy: -103.061251
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -20.557
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: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -290.256498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.256498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.256498 (E_RNA)
where:
Base-Base interactions energy: -185.419
where: short stacking energy: -95.420
Base-Backbone interact. energy: -0.034
local terms energy: -104.803165
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -29.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -276.447038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.447038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.447038 (E_RNA)
where:
Base-Base interactions energy: -165.236
where: short stacking energy: -77.683
Base-Backbone interact. energy: 0.098
local terms energy: -111.309322
where:
bonds (distance) C4'-P energy: -25.609
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -18.707
tors. eta vs tors. theta energy: -24.096
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: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -260.522417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.522417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.522417 (E_RNA)
where:
Base-Base interactions energy: -163.097
where: short stacking energy: -69.150
Base-Backbone interact. energy: -0.535
local terms energy: -96.890149
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -120.320381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.320381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.320381 (E_RNA)
where:
Base-Base interactions energy: -34.727
where: short stacking energy: -30.861
Base-Backbone interact. energy: -1.614
local terms energy: -83.979147
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -29.395
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: 1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -118.146743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.146743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.146743 (E_RNA)
where:
Base-Base interactions energy: -45.607
where: short stacking energy: -34.969
Base-Backbone interact. energy: -0.335
local terms energy: -72.203941
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -396.854663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.854663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.854663 (E_RNA)
where:
Base-Base interactions energy: -279.399
where: short stacking energy: -120.579
Base-Backbone interact. energy: -0.432
local terms energy: -117.023642
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -27.496
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -32.698
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: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -335.659837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.659837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.659837 (E_RNA)
where:
Base-Base interactions energy: -221.891
where: short stacking energy: -111.630
Base-Backbone interact. energy: -0.073
local terms energy: -113.695840
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -25.288
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: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -324.440683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.440683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.440683 (E_RNA)
where:
Base-Base interactions energy: -218.006
where: short stacking energy: -85.168
Base-Backbone interact. energy: -0.276
local terms energy: -106.159321
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -26.424
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -314.043943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.043943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.043943 (E_RNA)
where:
Base-Base interactions energy: -197.121
where: short stacking energy: -94.556
Base-Backbone interact. energy: -0.432
local terms energy: -116.490240
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -27.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -300.821942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.821942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.821942 (E_RNA)
where:
Base-Base interactions energy: -187.116
where: short stacking energy: -87.297
Base-Backbone interact. energy: -0.242
local terms energy: -113.463462
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -265.504956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.504956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.504956 (E_RNA)
where:
Base-Base interactions energy: -169.009
where: short stacking energy: -68.964
Base-Backbone interact. energy: 1.682
local terms energy: -98.177287
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -25.467
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -10.394
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: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -266.379250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.379250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.379250 (E_RNA)
where:
Base-Base interactions energy: -161.088
where: short stacking energy: -71.119
Base-Backbone interact. energy: -0.455
local terms energy: -104.836754
where:
bonds (distance) C4'-P energy: -25.101
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -253.179077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.179077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.179077 (E_RNA)
where:
Base-Base interactions energy: -147.835
where: short stacking energy: -69.523
Base-Backbone interact. energy: -1.278
local terms energy: -104.066322
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -128.884079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.884079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.884079 (E_RNA)
where:
Base-Base interactions energy: -59.274
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.266
local terms energy: -69.343890
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: 1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -124.362141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.362141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.362141 (E_RNA)
where:
Base-Base interactions energy: -53.191
where: short stacking energy: -31.265
Base-Backbone interact. energy: -0.787
local terms energy: -70.383794
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: 2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -392.666961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.666961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.666961 (E_RNA)
where:
Base-Base interactions energy: -270.571
where: short stacking energy: -113.633
Base-Backbone interact. energy: -0.023
local terms energy: -122.072648
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -33.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -325.057221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.057221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.057221 (E_RNA)
where:
Base-Base interactions energy: -213.646
where: short stacking energy: -87.141
Base-Backbone interact. energy: -0.216
local terms energy: -111.195830
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -23.667
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -305.233408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.233408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.233408 (E_RNA)
where:
Base-Base interactions energy: -191.199
where: short stacking energy: -89.945
Base-Backbone interact. energy: 0.450
local terms energy: -114.483784
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -28.054
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -310.712421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.712421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.712421 (E_RNA)
where:
Base-Base interactions energy: -203.786
where: short stacking energy: -90.609
Base-Backbone interact. energy: -1.010
local terms energy: -105.916617
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -27.712
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -280.979864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.979864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.979864 (E_RNA)
where:
Base-Base interactions energy: -179.615
where: short stacking energy: -88.187
Base-Backbone interact. energy: -0.501
local terms energy: -100.864648
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -267.064372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.064372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.064372 (E_RNA)
where:
Base-Base interactions energy: -161.274
where: short stacking energy: -70.479
Base-Backbone interact. energy: -0.593
local terms energy: -105.196851
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -258.378020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.378020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.378020 (E_RNA)
where:
Base-Base interactions energy: -156.806
where: short stacking energy: -67.708
Base-Backbone interact. energy: -0.667
local terms energy: -100.905368
where:
bonds (distance) C4'-P energy: -26.391
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -243.062100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.062100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.062100 (E_RNA)
where:
Base-Base interactions energy: -159.911
where: short stacking energy: -74.250
Base-Backbone interact. energy: 0.473
local terms energy: -83.624658
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -13.607
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: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -131.766921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.766921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.766921 (E_RNA)
where:
Base-Base interactions energy: -59.235
where: short stacking energy: -38.010
Base-Backbone interact. energy: -0.355
local terms energy: -72.176423
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -1.530
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: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -112.254229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.254229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.254229 (E_RNA)
where:
Base-Base interactions energy: -31.661
where: short stacking energy: -18.838
Base-Backbone interact. energy: -0.224
local terms energy: -80.368745
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: 2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -396.034107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.034107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.034107 (E_RNA)
where:
Base-Base interactions energy: -269.219
where: short stacking energy: -117.668
Base-Backbone interact. energy: -0.654
local terms energy: -126.161079
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -35.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -334.798413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.798413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.798413 (E_RNA)
where:
Base-Base interactions energy: -222.866
where: short stacking energy: -93.436
Base-Backbone interact. energy: -0.614
local terms energy: -111.318970
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -23.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -298.405177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.405177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.405177 (E_RNA)
where:
Base-Base interactions energy: -181.748
where: short stacking energy: -83.403
Base-Backbone interact. energy: -0.123
local terms energy: -116.534218
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -27.706
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -20.956
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: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -303.352707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.352707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.352707 (E_RNA)
where:
Base-Base interactions energy: -199.483
where: short stacking energy: -98.190
Base-Backbone interact. energy: -0.018
local terms energy: -103.851750
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -24.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -282.439535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.439535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.439535 (E_RNA)
where:
Base-Base interactions energy: -171.422
where: short stacking energy: -75.729
Base-Backbone interact. energy: -0.084
local terms energy: -110.934079
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -28.197
flat angles C4'-P-C4' energy: -27.019
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -275.235435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.235435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.235435 (E_RNA)
where:
Base-Base interactions energy: -169.970
where: short stacking energy: -80.569
Base-Backbone interact. energy: -0.208
local terms energy: -105.057820
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -28.228
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -14.338
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: 7, replica: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -283.662872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.662872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.662872 (E_RNA)
where:
Base-Base interactions energy: -183.625
where: short stacking energy: -78.676
Base-Backbone interact. energy: -0.464
local terms energy: -99.574230
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -232.416291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.416291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.416291 (E_RNA)
where:
Base-Base interactions energy: -146.771
where: short stacking energy: -67.666
Base-Backbone interact. energy: -0.233
local terms energy: -85.411793
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -16.147
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: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -169.754291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.754291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.754291 (E_RNA)
where:
Base-Base interactions energy: -77.285
where: short stacking energy: -33.405
Base-Backbone interact. energy: -0.797
local terms energy: -91.672039
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -7.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -126.447025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.447025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.447025 (E_RNA)
where:
Base-Base interactions energy: -52.003
where: short stacking energy: -43.625
Base-Backbone interact. energy: -0.234
local terms energy: -74.210227
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -3.625
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: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -396.053109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.053109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.053109 (E_RNA)
where:
Base-Base interactions energy: -271.849
where: short stacking energy: -118.352
Base-Backbone interact. energy: -0.097
local terms energy: -124.106946
where:
bonds (distance) C4'-P energy: -20.328
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -34.951
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: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -336.470430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.470430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.470430 (E_RNA)
where:
Base-Base interactions energy: -213.813
where: short stacking energy: -102.954
Base-Backbone interact. energy: -0.054
local terms energy: -122.603626
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -28.893
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -31.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -301.288198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.288198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.288198 (E_RNA)
where:
Base-Base interactions energy: -189.981
where: short stacking energy: -91.085
Base-Backbone interact. energy: 0.192
local terms energy: -111.498982
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -294.843457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.843457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.843457 (E_RNA)
where:
Base-Base interactions energy: -172.999
where: short stacking energy: -81.243
Base-Backbone interact. energy: -0.036
local terms energy: -121.808903
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -27.562
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -24.664
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: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -282.647369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.647369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.647369 (E_RNA)
where:
Base-Base interactions energy: -163.056
where: short stacking energy: -71.497
Base-Backbone interact. energy: 0.154
local terms energy: -119.745208
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -25.862
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -22.818
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: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -287.273940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.273940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.273940 (E_RNA)
where:
Base-Base interactions energy: -186.350
where: short stacking energy: -87.789
Base-Backbone interact. energy: -0.226
local terms energy: -100.697382
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -19.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -285.538891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.538891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.538891 (E_RNA)
where:
Base-Base interactions energy: -178.763
where: short stacking energy: -84.330
Base-Backbone interact. energy: -0.909
local terms energy: -105.867633
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -24.083
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: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -236.873891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.873891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.873891 (E_RNA)
where:
Base-Base interactions energy: -149.979
where: short stacking energy: -66.057
Base-Backbone interact. energy: -0.146
local terms energy: -86.748912
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -232.381216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.381216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.381216 (E_RNA)
where:
Base-Base interactions energy: -152.347
where: short stacking energy: -70.432
Base-Backbone interact. energy: 0.140
local terms energy: -80.173796
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -121.040108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.040108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.040108 (E_RNA)
where:
Base-Base interactions energy: -38.508
where: short stacking energy: -32.397
Base-Backbone interact. energy: 0.645
local terms energy: -83.177006
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -28.948
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -382.596663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.596663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.596663 (E_RNA)
where:
Base-Base interactions energy: -276.621
where: short stacking energy: -110.853
Base-Backbone interact. energy: 1.244
local terms energy: -107.219451
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -27.160
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: -27.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -334.736097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.736097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.736097 (E_RNA)
where:
Base-Base interactions energy: -216.361
where: short stacking energy: -104.463
Base-Backbone interact. energy: -0.086
local terms energy: -118.288772
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -30.581
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -29.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -308.938343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.938343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.938343 (E_RNA)
where:
Base-Base interactions energy: -191.432
where: short stacking energy: -98.420
Base-Backbone interact. energy: -0.191
local terms energy: -117.315151
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -25.619
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -29.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -280.003694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.003694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.003694 (E_RNA)
where:
Base-Base interactions energy: -180.483
where: short stacking energy: -83.327
Base-Backbone interact. energy: 0.015
local terms energy: -99.536354
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -16.684
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: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -274.659940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.659940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.659940 (E_RNA)
where:
Base-Base interactions energy: -175.463
where: short stacking energy: -81.181
Base-Backbone interact. energy: -0.507
local terms energy: -98.690470
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -275.587910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.587910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.587910 (E_RNA)
where:
Base-Base interactions energy: -174.141
where: short stacking energy: -85.667
Base-Backbone interact. energy: -0.849
local terms energy: -100.597857
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -15.638
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: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -257.424567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.424567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.424567 (E_RNA)
where:
Base-Base interactions energy: -169.989
where: short stacking energy: -75.394
Base-Backbone interact. energy: -1.001
local terms energy: -86.434314
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -261.159902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.159902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.159902 (E_RNA)
where:
Base-Base interactions energy: -166.269
where: short stacking energy: -77.303
Base-Backbone interact. energy: 0.262
local terms energy: -95.152754
where:
bonds (distance) C4'-P energy: -25.660
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -18.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -208.592702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.592702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.592702 (E_RNA)
where:
Base-Base interactions energy: -135.261
where: short stacking energy: -60.186
Base-Backbone interact. energy: 1.604
local terms energy: -74.935136
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -8.060
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: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -118.538208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.538208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.538208 (E_RNA)
where:
Base-Base interactions energy: -44.235
where: short stacking energy: -29.740
Base-Backbone interact. energy: -0.425
local terms energy: -73.878756
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -12.742
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: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -400.553679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.553679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.553679 (E_RNA)
where:
Base-Base interactions energy: -281.311
where: short stacking energy: -116.063
Base-Backbone interact. energy: 0.134
local terms energy: -119.376170
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -29.761
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: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -339.470815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.470815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.470815 (E_RNA)
where:
Base-Base interactions energy: -221.807
where: short stacking energy: -102.286
Base-Backbone interact. energy: -0.083
local terms energy: -117.581100
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -30.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -322.780658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.780658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.780658 (E_RNA)
where:
Base-Base interactions energy: -209.148
where: short stacking energy: -95.933
Base-Backbone interact. energy: -0.196
local terms energy: -113.435836
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -20.821
tors. eta vs tors. theta energy: -22.412
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: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -292.062751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.062751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.062751 (E_RNA)
where:
Base-Base interactions energy: -182.442
where: short stacking energy: -85.662
Base-Backbone interact. energy: -0.250
local terms energy: -109.370883
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -24.020
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -22.711
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: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -296.504084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.504084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.504084 (E_RNA)
where:
Base-Base interactions energy: -196.809
where: short stacking energy: -95.975
Base-Backbone interact. energy: -0.178
local terms energy: -99.516417
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -22.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -252.342633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.342633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.342633 (E_RNA)
where:
Base-Base interactions energy: -157.443
where: short stacking energy: -82.764
Base-Backbone interact. energy: -0.490
local terms energy: -94.408854
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -261.741685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.741685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.741685 (E_RNA)
where:
Base-Base interactions energy: -168.327
where: short stacking energy: -84.917
Base-Backbone interact. energy: -0.352
local terms energy: -93.062504
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -239.403170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.403170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.403170 (E_RNA)
where:
Base-Base interactions energy: -151.538
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.084
local terms energy: -87.781097
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -14.637
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: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -123.367458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.367458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.367458 (E_RNA)
where:
Base-Base interactions energy: -42.834
where: short stacking energy: -42.834
Base-Backbone interact. energy: -0.230
local terms energy: -80.302722
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: 0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -99.503503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.503503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.503503 (E_RNA)
where:
Base-Base interactions energy: -27.137
where: short stacking energy: -24.430
Base-Backbone interact. energy: -0.270
local terms energy: -72.095783
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: 1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -398.812070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.812070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.812070 (E_RNA)
where:
Base-Base interactions energy: -278.774
where: short stacking energy: -110.285
Base-Backbone interact. energy: 0.264
local terms energy: -120.302743
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -30.829
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: 339
Temperature: 0.950000
Total energy: -346.366772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.366772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.366772 (E_RNA)
where:
Base-Base interactions energy: -223.852
where: short stacking energy: -104.986
Base-Backbone interact. energy: -0.809
local terms energy: -121.705489
where:
bonds (distance) C4'-P energy: -26.775
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -34.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -312.678550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.678550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.678550 (E_RNA)
where:
Base-Base interactions energy: -200.641
where: short stacking energy: -99.617
Base-Backbone interact. energy: -0.074
local terms energy: -111.963320
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -297.977966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.977966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.977966 (E_RNA)
where:
Base-Base interactions energy: -184.056
where: short stacking energy: -96.780
Base-Backbone interact. energy: -0.313
local terms energy: -113.609303
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -269.232712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.232712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.232712 (E_RNA)
where:
Base-Base interactions energy: -165.524
where: short stacking energy: -81.316
Base-Backbone interact. energy: -0.240
local terms energy: -103.468193
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -24.130
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -13.720
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: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -281.276875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.276875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.276875 (E_RNA)
where:
Base-Base interactions energy: -172.104
where: short stacking energy: -84.317
Base-Backbone interact. energy: -0.064
local terms energy: -109.108964
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -28.183
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -14.925
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: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -251.665884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.665884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.665884 (E_RNA)
where:
Base-Base interactions energy: -145.971
where: short stacking energy: -70.439
Base-Backbone interact. energy: -0.525
local terms energy: -105.170809
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -26.784
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -19.738
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: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -257.777657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.777657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.777657 (E_RNA)
where:
Base-Base interactions energy: -164.157
where: short stacking energy: -76.614
Base-Backbone interact. energy: -0.240
local terms energy: -93.380362
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -116.395914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.395914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.395914 (E_RNA)
where:
Base-Base interactions energy: -47.679
where: short stacking energy: -43.795
Base-Backbone interact. energy: 0.824
local terms energy: -69.540575
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -0.020
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: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -130.161226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.161226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.161226 (E_RNA)
where:
Base-Base interactions energy: -51.979
where: short stacking energy: -41.087
Base-Backbone interact. energy: -1.313
local terms energy: -76.868803
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -391.386983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.386983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.386983 (E_RNA)
where:
Base-Base interactions energy: -268.794
where: short stacking energy: -110.351
Base-Backbone interact. energy: 0.027
local terms energy: -122.619800
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -27.971
flat angles C4'-P-C4' energy: -27.259
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -333.828924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.828924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.828924 (E_RNA)
where:
Base-Base interactions energy: -211.053
where: short stacking energy: -101.740
Base-Backbone interact. energy: -0.159
local terms energy: -122.617033
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -30.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -323.824852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.824852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.824852 (E_RNA)
where:
Base-Base interactions energy: -217.556
where: short stacking energy: -102.451
Base-Backbone interact. energy: 1.371
local terms energy: -107.640394
where:
bonds (distance) C4'-P energy: -26.482
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -23.439
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: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -294.249864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.249864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.249864 (E_RNA)
where:
Base-Base interactions energy: -184.894
where: short stacking energy: -85.838
Base-Backbone interact. energy: 2.440
local terms energy: -111.795093
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -263.396047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.396047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.396047 (E_RNA)
where:
Base-Base interactions energy: -160.726
where: short stacking energy: -77.052
Base-Backbone interact. energy: -0.381
local terms energy: -102.288908
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -266.448383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.448383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.448383 (E_RNA)
where:
Base-Base interactions energy: -164.505
where: short stacking energy: -85.446
Base-Backbone interact. energy: -0.997
local terms energy: -100.947268
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -14.511
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: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -269.737371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.737371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.737371 (E_RNA)
where:
Base-Base interactions energy: -168.359
where: short stacking energy: -79.586
Base-Backbone interact. energy: -0.246
local terms energy: -101.131958
where:
bonds (distance) C4'-P energy: -27.634
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -237.527956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.527956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.527956 (E_RNA)
where:
Base-Base interactions energy: -141.537
where: short stacking energy: -77.686
Base-Backbone interact. energy: -0.922
local terms energy: -95.068887
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -132.432398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.432398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.432398 (E_RNA)
where:
Base-Base interactions energy: -63.983
where: short stacking energy: -30.990
Base-Backbone interact. energy: -0.668
local terms energy: -67.780749
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -116.948817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.948817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.948817 (E_RNA)
where:
Base-Base interactions energy: -48.971
where: short stacking energy: -46.467
Base-Backbone interact. energy: -0.183
local terms energy: -67.795528
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -11.934
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: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -398.650318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.650318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.650318 (E_RNA)
where:
Base-Base interactions energy: -286.379
where: short stacking energy: -115.058
Base-Backbone interact. energy: -0.259
local terms energy: -112.012084
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -337.080555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.080555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.080555 (E_RNA)
where:
Base-Base interactions energy: -226.336
where: short stacking energy: -101.571
Base-Backbone interact. energy: -0.168
local terms energy: -110.576814
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -27.413
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -25.065
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: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -305.942931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.942931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.942931 (E_RNA)
where:
Base-Base interactions energy: -196.695
where: short stacking energy: -75.451
Base-Backbone interact. energy: 0.324
local terms energy: -109.571970
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -15.401
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: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -273.309122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.309122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.309122 (E_RNA)
where:
Base-Base interactions energy: -168.721
where: short stacking energy: -82.894
Base-Backbone interact. energy: 1.717
local terms energy: -106.304953
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -21.423
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: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -300.524107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.524107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.524107 (E_RNA)
where:
Base-Base interactions energy: -195.616
where: short stacking energy: -102.763
Base-Backbone interact. energy: -0.234
local terms energy: -104.673650
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -25.823
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: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -281.830189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.830189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.830189 (E_RNA)
where:
Base-Base interactions energy: -179.323
where: short stacking energy: -79.319
Base-Backbone interact. energy: -0.317
local terms energy: -102.190188
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -26.630
flat angles P-C4'-P energy: -9.424
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: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -286.928840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.928840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.928840 (E_RNA)
where:
Base-Base interactions energy: -187.427
where: short stacking energy: -83.419
Base-Backbone interact. energy: 0.315
local terms energy: -99.816265
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -27.489
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -17.880
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: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -237.326819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.326819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.326819 (E_RNA)
where:
Base-Base interactions energy: -152.819
where: short stacking energy: -80.503
Base-Backbone interact. energy: -0.377
local terms energy: -84.130219
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -114.585412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.585412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.585412 (E_RNA)
where:
Base-Base interactions energy: -36.506
where: short stacking energy: -28.362
Base-Backbone interact. energy: -0.062
local terms energy: -78.017690
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: 2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -114.305115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.305115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.305115 (E_RNA)
where:
Base-Base interactions energy: -46.562
where: short stacking energy: -22.586
Base-Backbone interact. energy: -0.996
local terms energy: -66.746780
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: 2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -405.166639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.166639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.166639 (E_RNA)
where:
Base-Base interactions energy: -281.593
where: short stacking energy: -104.204
Base-Backbone interact. energy: -0.772
local terms energy: -122.801312
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -29.773
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: 342
Temperature: 0.950000
Total energy: -338.902838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.902838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.902838 (E_RNA)
where:
Base-Base interactions energy: -227.256
where: short stacking energy: -103.657
Base-Backbone interact. energy: -0.474
local terms energy: -111.173485
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -300.268073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.268073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.268073 (E_RNA)
where:
Base-Base interactions energy: -192.725
where: short stacking energy: -81.873
Base-Backbone interact. energy: -0.806
local terms energy: -106.737166
where:
bonds (distance) C4'-P energy: -26.110
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -19.361
tors. eta vs tors. theta energy: -13.044
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: 342
Temperature: 1.050000
Total energy: -284.809062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.809062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.809062 (E_RNA)
where:
Base-Base interactions energy: -178.934
where: short stacking energy: -94.181
Base-Backbone interact. energy: -0.056
local terms energy: -105.818834
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -292.427115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.427115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.427115 (E_RNA)
where:
Base-Base interactions energy: -178.339
where: short stacking energy: -90.904
Base-Backbone interact. energy: 0.461
local terms energy: -114.549211
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -20.086
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: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -288.257197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.257197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.257197 (E_RNA)
where:
Base-Base interactions energy: -190.290
where: short stacking energy: -76.192
Base-Backbone interact. energy: -0.541
local terms energy: -97.425783
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -285.086537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.086537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.086537 (E_RNA)
where:
Base-Base interactions energy: -175.721
where: short stacking energy: -81.498
Base-Backbone interact. energy: -0.473
local terms energy: -108.892815
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -244.931607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.931607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.931607 (E_RNA)
where:
Base-Base interactions energy: -154.537
where: short stacking energy: -68.750
Base-Backbone interact. energy: 0.461
local terms energy: -90.855934
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -11.515
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: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -132.906003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.906003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.906003 (E_RNA)
where:
Base-Base interactions energy: -41.934
where: short stacking energy: -41.923
Base-Backbone interact. energy: -0.099
local terms energy: -90.872828
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -18.566
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: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -114.360822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.360822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.360822 (E_RNA)
where:
Base-Base interactions energy: -48.797
where: short stacking energy: -34.183
Base-Backbone interact. energy: 0.759
local terms energy: -66.323394
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -400.751696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.751696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.751696 (E_RNA)
where:
Base-Base interactions energy: -281.580
where: short stacking energy: -110.205
Base-Backbone interact. energy: 0.374
local terms energy: -119.546500
where:
bonds (distance) C4'-P energy: -23.474
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -29.669
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: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -340.454575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.454575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.454575 (E_RNA)
where:
Base-Base interactions energy: -226.179
where: short stacking energy: -104.899
Base-Backbone interact. energy: -0.392
local terms energy: -113.883002
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -30.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -308.152287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.152287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.152287 (E_RNA)
where:
Base-Base interactions energy: -193.217
where: short stacking energy: -77.919
Base-Backbone interact. energy: -0.281
local terms energy: -114.654385
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -28.104
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -18.814
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: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -282.170893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.170893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.170893 (E_RNA)
where:
Base-Base interactions energy: -177.557
where: short stacking energy: -86.737
Base-Backbone interact. energy: -1.590
local terms energy: -103.024460
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -16.607
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: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -271.528558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.528558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.528558 (E_RNA)
where:
Base-Base interactions energy: -175.964
where: short stacking energy: -80.744
Base-Backbone interact. energy: -0.160
local terms energy: -95.405096
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -264.430273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.430273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.430273 (E_RNA)
where:
Base-Base interactions energy: -164.832
where: short stacking energy: -74.990
Base-Backbone interact. energy: -0.087
local terms energy: -99.511372
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -265.280652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.280652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.280652 (E_RNA)
where:
Base-Base interactions energy: -170.964
where: short stacking energy: -72.322
Base-Backbone interact. energy: -0.418
local terms energy: -93.898352
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -241.202878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.202878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.202878 (E_RNA)
where:
Base-Base interactions energy: -143.972
where: short stacking energy: -67.960
Base-Backbone interact. energy: -0.360
local terms energy: -96.870645
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -118.451631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.451631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.451631 (E_RNA)
where:
Base-Base interactions energy: -51.814
where: short stacking energy: -31.109
Base-Backbone interact. energy: -0.422
local terms energy: -66.215958
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -26.995
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: 1.422
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: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -127.543709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.543709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.543709 (E_RNA)
where:
Base-Base interactions energy: -44.154
where: short stacking energy: -37.018
Base-Backbone interact. energy: -0.133
local terms energy: -83.256213
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -23.628
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -9.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -382.209330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.209330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.209330 (E_RNA)
where:
Base-Base interactions energy: -249.463
where: short stacking energy: -99.990
Base-Backbone interact. energy: -0.179
local terms energy: -132.567299
where:
bonds (distance) C4'-P energy: -27.435
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -28.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -340.017326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.017326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.017326 (E_RNA)
where:
Base-Base interactions energy: -211.258
where: short stacking energy: -103.290
Base-Backbone interact. energy: -0.123
local terms energy: -128.636604
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -28.723
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: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -327.792456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.792456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.792456 (E_RNA)
where:
Base-Base interactions energy: -209.654
where: short stacking energy: -94.458
Base-Backbone interact. energy: -0.058
local terms energy: -118.080050
where:
bonds (distance) C4'-P energy: -22.559
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -28.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -277.604169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.604169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.604169 (E_RNA)
where:
Base-Base interactions energy: -175.524
where: short stacking energy: -83.733
Base-Backbone interact. energy: -0.135
local terms energy: -101.946012
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -13.539
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: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -298.644855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.644855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.644855 (E_RNA)
where:
Base-Base interactions energy: -181.708
where: short stacking energy: -88.285
Base-Backbone interact. energy: -0.161
local terms energy: -116.775452
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -25.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -268.176160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.176160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.176160 (E_RNA)
where:
Base-Base interactions energy: -160.915
where: short stacking energy: -82.159
Base-Backbone interact. energy: -0.741
local terms energy: -106.520624
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -16.334
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: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -233.288225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.288225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.288225 (E_RNA)
where:
Base-Base interactions energy: -151.777
where: short stacking energy: -51.692
Base-Backbone interact. energy: -1.703
local terms energy: -79.808190
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -8.134
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: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -223.797580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.797580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.797580 (E_RNA)
where:
Base-Base interactions energy: -136.351
where: short stacking energy: -68.851
Base-Backbone interact. energy: 3.541
local terms energy: -90.987820
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -17.406
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: 9, replica: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -140.610753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.610753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.610753 (E_RNA)
where:
Base-Base interactions energy: -78.006
where: short stacking energy: -42.108
Base-Backbone interact. energy: -1.106
local terms energy: -61.498764
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -128.248236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.248236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.248236 (E_RNA)
where:
Base-Base interactions energy: -47.713
where: short stacking energy: -43.687
Base-Backbone interact. energy: -0.118
local terms energy: -80.416639
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -15.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -394.525921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.525921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.525921 (E_RNA)
where:
Base-Base interactions energy: -269.170
where: short stacking energy: -104.042
Base-Backbone interact. energy: -0.253
local terms energy: -125.103091
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -29.619
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -31.649
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: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -336.480952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.480952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.480952 (E_RNA)
where:
Base-Base interactions energy: -208.228
where: short stacking energy: -101.571
Base-Backbone interact. energy: -0.062
local terms energy: -128.190863
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: -24.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -326.666438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.666438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.666438 (E_RNA)
where:
Base-Base interactions energy: -214.986
where: short stacking energy: -101.352
Base-Backbone interact. energy: -0.428
local terms energy: -111.252929
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -27.240
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -21.752
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: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -305.951817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.951817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.951817 (E_RNA)
where:
Base-Base interactions energy: -185.894
where: short stacking energy: -91.060
Base-Backbone interact. energy: -0.005
local terms energy: -120.052404
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -31.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -270.372901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.372901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.372901 (E_RNA)
where:
Base-Base interactions energy: -164.665
where: short stacking energy: -75.437
Base-Backbone interact. energy: -0.241
local terms energy: -105.466840
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -17.825
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: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -266.558551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.558551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.558551 (E_RNA)
where:
Base-Base interactions energy: -153.852
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.601
local terms energy: -112.105547
where:
bonds (distance) C4'-P energy: -29.214
bonds (distance) P-C4' energy: -25.444
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -253.295527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.295527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.295527 (E_RNA)
where:
Base-Base interactions energy: -150.795
where: short stacking energy: -78.135
Base-Backbone interact. energy: -0.407
local terms energy: -102.093705
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -23.461
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: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -259.933531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.933531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.933531 (E_RNA)
where:
Base-Base interactions energy: -155.992
where: short stacking energy: -72.074
Base-Backbone interact. energy: -0.640
local terms energy: -103.301849
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -114.168373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.168373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.168373 (E_RNA)
where:
Base-Base interactions energy: -47.383
where: short stacking energy: -36.459
Base-Backbone interact. energy: -0.523
local terms energy: -66.263021
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -113.154044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.154044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.154044 (E_RNA)
where:
Base-Base interactions energy: -44.794
where: short stacking energy: -31.833
Base-Backbone interact. energy: -0.199
local terms energy: -68.160989
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: 1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -411.033738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.033738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.033738 (E_RNA)
where:
Base-Base interactions energy: -291.264
where: short stacking energy: -102.903
Base-Backbone interact. energy: -1.332
local terms energy: -118.438076
where:
bonds (distance) C4'-P energy: -24.359
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -30.330
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: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -313.477244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.477244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.477244 (E_RNA)
where:
Base-Base interactions energy: -207.487
where: short stacking energy: -99.880
Base-Backbone interact. energy: -0.114
local terms energy: -105.876200
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -294.517419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.517419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.517419 (E_RNA)
where:
Base-Base interactions energy: -182.889
where: short stacking energy: -90.417
Base-Backbone interact. energy: -0.067
local terms energy: -111.560974
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -24.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -272.753307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.753307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.753307 (E_RNA)
where:
Base-Base interactions energy: -171.707
where: short stacking energy: -81.183
Base-Backbone interact. energy: -0.989
local terms energy: -100.056987
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -283.018090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.018090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.018090 (E_RNA)
where:
Base-Base interactions energy: -169.082
where: short stacking energy: -89.169
Base-Backbone interact. energy: 0.367
local terms energy: -114.303064
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -26.033
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: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -268.221562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.221562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.221562 (E_RNA)
where:
Base-Base interactions energy: -167.027
where: short stacking energy: -71.354
Base-Backbone interact. energy: -0.146
local terms energy: -101.048016
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -26.559
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -18.742
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: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -268.930806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.930806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.930806 (E_RNA)
where:
Base-Base interactions energy: -165.489
where: short stacking energy: -73.500
Base-Backbone interact. energy: -0.481
local terms energy: -102.961128
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -250.067716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.067716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.067716 (E_RNA)
where:
Base-Base interactions energy: -157.131
where: short stacking energy: -71.642
Base-Backbone interact. energy: 0.272
local terms energy: -93.208487
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -13.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -136.256373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.256373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.256373 (E_RNA)
where:
Base-Base interactions energy: -52.176
where: short stacking energy: -52.176
Base-Backbone interact. energy: 0.136
local terms energy: -84.215815
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -106.725901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.725901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.725901 (E_RNA)
where:
Base-Base interactions energy: -29.297
where: short stacking energy: -23.906
Base-Backbone interact. energy: -1.089
local terms energy: -76.339791
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -12.126
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: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -403.157867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.157867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.157867 (E_RNA)
where:
Base-Base interactions energy: -284.705
where: short stacking energy: -96.547
Base-Backbone interact. energy: 0.118
local terms energy: -118.570403
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -29.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -321.280069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.280069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.280069 (E_RNA)
where:
Base-Base interactions energy: -203.343
where: short stacking energy: -97.806
Base-Backbone interact. energy: -0.104
local terms energy: -117.833415
where:
bonds (distance) C4'-P energy: -25.941
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -23.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -307.394406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.394406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.394406 (E_RNA)
where:
Base-Base interactions energy: -203.450
where: short stacking energy: -83.302
Base-Backbone interact. energy: -1.006
local terms energy: -102.938187
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -323.274536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.274536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.274536 (E_RNA)
where:
Base-Base interactions energy: -199.511
where: short stacking energy: -106.465
Base-Backbone interact. energy: -0.605
local terms energy: -123.158841
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -27.544
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -30.034
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: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -274.454046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.454046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.454046 (E_RNA)
where:
Base-Base interactions energy: -166.593
where: short stacking energy: -80.439
Base-Backbone interact. energy: -0.357
local terms energy: -107.504535
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -26.411
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -250.939377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.939377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.939377 (E_RNA)
where:
Base-Base interactions energy: -163.586
where: short stacking energy: -71.431
Base-Backbone interact. energy: -0.938
local terms energy: -86.415694
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -22.487
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -12.837
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: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -254.459664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.459664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.459664 (E_RNA)
where:
Base-Base interactions energy: -148.121
where: short stacking energy: -72.450
Base-Backbone interact. energy: -0.262
local terms energy: -106.076698
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -256.923817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.923817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.923817 (E_RNA)
where:
Base-Base interactions energy: -163.630
where: short stacking energy: -74.319
Base-Backbone interact. energy: -0.431
local terms energy: -92.863131
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -153.628077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.628077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.628077 (E_RNA)
where:
Base-Base interactions energy: -90.942
where: short stacking energy: -39.939
Base-Backbone interact. energy: -0.480
local terms energy: -62.206393
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -109.724068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.724068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.724068 (E_RNA)
where:
Base-Base interactions energy: -38.000
where: short stacking energy: -22.130
Base-Backbone interact. energy: -0.302
local terms energy: -71.422670
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: 4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -406.309584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.309584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.309584 (E_RNA)
where:
Base-Base interactions energy: -289.096
where: short stacking energy: -107.790
Base-Backbone interact. energy: 0.293
local terms energy: -117.506597
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -23.911
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -33.105
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: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -329.462983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.462983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.462983 (E_RNA)
where:
Base-Base interactions energy: -202.324
where: short stacking energy: -95.326
Base-Backbone interact. energy: -0.961
local terms energy: -126.177972
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -29.813
flat angles P-C4'-P energy: -23.192
tors. eta vs tors. theta energy: -25.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -318.668179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.668179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.668179 (E_RNA)
where:
Base-Base interactions energy: -204.987
where: short stacking energy: -93.148
Base-Backbone interact. energy: -0.044
local terms energy: -113.637094
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -27.874
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -22.742
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: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -296.332605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.332605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.332605 (E_RNA)
where:
Base-Base interactions energy: -189.923
where: short stacking energy: -89.806
Base-Backbone interact. energy: -0.029
local terms energy: -106.380770
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -25.658
flat angles C4'-P-C4' energy: -27.267
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -22.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -282.999498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.999498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.999498 (E_RNA)
where:
Base-Base interactions energy: -173.641
where: short stacking energy: -80.805
Base-Backbone interact. energy: 1.372
local terms energy: -110.730310
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -22.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -254.469054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.469054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.469054 (E_RNA)
where:
Base-Base interactions energy: -153.381
where: short stacking energy: -70.278
Base-Backbone interact. energy: -0.873
local terms energy: -100.215122
where:
bonds (distance) C4'-P energy: -25.932
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -262.066715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.066715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.066715 (E_RNA)
where:
Base-Base interactions energy: -157.412
where: short stacking energy: -81.543
Base-Backbone interact. energy: -0.087
local terms energy: -104.566954
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -15.889
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: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -257.645200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.645200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.645200 (E_RNA)
where:
Base-Base interactions energy: -160.285
where: short stacking energy: -80.177
Base-Backbone interact. energy: 0.108
local terms energy: -97.467497
where:
bonds (distance) C4'-P energy: -25.759
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -22.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -150.562734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.562734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.562734 (E_RNA)
where:
Base-Base interactions energy: -80.209
where: short stacking energy: -50.398
Base-Backbone interact. energy: -0.186
local terms energy: -70.167955
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -121.396473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.396473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.396473 (E_RNA)
where:
Base-Base interactions energy: -56.412
where: short stacking energy: -32.980
Base-Backbone interact. energy: -0.526
local terms energy: -64.458533
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: 0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -409.570649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.570649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.570649 (E_RNA)
where:
Base-Base interactions energy: -287.565
where: short stacking energy: -99.926
Base-Backbone interact. energy: -1.454
local terms energy: -120.551788
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -32.417
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: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -321.279800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.279800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.279800 (E_RNA)
where:
Base-Base interactions energy: -206.771
where: short stacking energy: -93.921
Base-Backbone interact. energy: -0.129
local terms energy: -114.379091
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -26.280
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -318.480992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.480992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.480992 (E_RNA)
where:
Base-Base interactions energy: -199.353
where: short stacking energy: -102.307
Base-Backbone interact. energy: -0.074
local terms energy: -119.054599
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -24.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -323.068000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.068000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.068000 (E_RNA)
where:
Base-Base interactions energy: -200.273
where: short stacking energy: -103.584
Base-Backbone interact. energy: -0.012
local terms energy: -122.782434
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -32.849
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: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -255.529364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.529364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.529364 (E_RNA)
where:
Base-Base interactions energy: -158.636
where: short stacking energy: -65.939
Base-Backbone interact. energy: -0.411
local terms energy: -96.482802
where:
bonds (distance) C4'-P energy: -25.113
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -275.248779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.248779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.248779 (E_RNA)
where:
Base-Base interactions energy: -171.182
where: short stacking energy: -80.844
Base-Backbone interact. energy: -0.111
local terms energy: -103.955685
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -256.248742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.248742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.248742 (E_RNA)
where:
Base-Base interactions energy: -159.996
where: short stacking energy: -75.508
Base-Backbone interact. energy: -0.679
local terms energy: -95.574087
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -14.414
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: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -274.843753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.843753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.843753 (E_RNA)
where:
Base-Base interactions energy: -186.649
where: short stacking energy: -86.637
Base-Backbone interact. energy: -0.113
local terms energy: -88.081834
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -117.034391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.034391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.034391 (E_RNA)
where:
Base-Base interactions energy: -31.966
where: short stacking energy: -30.972
Base-Backbone interact. energy: 0.768
local terms energy: -85.836162
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -3.157
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: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -104.749989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.749989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.749989 (E_RNA)
where:
Base-Base interactions energy: -36.711
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.120
local terms energy: -67.919465
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -0.086
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: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -405.340916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.340916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.340916 (E_RNA)
where:
Base-Base interactions energy: -286.326
where: short stacking energy: -113.043
Base-Backbone interact. energy: -1.327
local terms energy: -117.688598
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -31.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -325.168863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.168863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.168863 (E_RNA)
where:
Base-Base interactions energy: -218.923
where: short stacking energy: -97.607
Base-Backbone interact. energy: -0.314
local terms energy: -105.931667
where:
bonds (distance) C4'-P energy: -23.883
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -326.552733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.552733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.552733 (E_RNA)
where:
Base-Base interactions energy: -211.866
where: short stacking energy: -97.376
Base-Backbone interact. energy: -0.100
local terms energy: -114.586071
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -281.781259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.781259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.781259 (E_RNA)
where:
Base-Base interactions energy: -186.766
where: short stacking energy: -77.961
Base-Backbone interact. energy: 1.744
local terms energy: -96.759423
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -280.574895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.574895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.574895 (E_RNA)
where:
Base-Base interactions energy: -189.441
where: short stacking energy: -93.866
Base-Backbone interact. energy: -0.990
local terms energy: -90.143422
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -263.320591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.320591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.320591 (E_RNA)
where:
Base-Base interactions energy: -158.454
where: short stacking energy: -84.481
Base-Backbone interact. energy: -0.949
local terms energy: -103.917332
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -12.453
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: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -276.982535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.982535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.982535 (E_RNA)
where:
Base-Base interactions energy: -174.888
where: short stacking energy: -74.246
Base-Backbone interact. energy: 0.897
local terms energy: -102.992316
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -25.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -244.198841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.198841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.198841 (E_RNA)
where:
Base-Base interactions energy: -143.273
where: short stacking energy: -72.178
Base-Backbone interact. energy: -0.091
local terms energy: -100.834738
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -24.039
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: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -119.684528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.684528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.684528 (E_RNA)
where:
Base-Base interactions energy: -40.682
where: short stacking energy: -29.396
Base-Backbone interact. energy: -0.465
local terms energy: -78.537369
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -5.479
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: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -119.154344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.154344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.154344 (E_RNA)
where:
Base-Base interactions energy: -50.790
where: short stacking energy: -41.459
Base-Backbone interact. energy: 2.517
local terms energy: -70.880626
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -408.281042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.281042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.281042 (E_RNA)
where:
Base-Base interactions energy: -287.574
where: short stacking energy: -108.694
Base-Backbone interact. energy: -1.740
local terms energy: -118.966462
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -29.837
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: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -333.831118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.831118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.831118 (E_RNA)
where:
Base-Base interactions energy: -221.135
where: short stacking energy: -97.641
Base-Backbone interact. energy: -0.062
local terms energy: -112.634097
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -25.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -313.240797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.240797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.240797 (E_RNA)
where:
Base-Base interactions energy: -213.613
where: short stacking energy: -99.625
Base-Backbone interact. energy: 0.152
local terms energy: -99.779808
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -20.005
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: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -283.639612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.639612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.639612 (E_RNA)
where:
Base-Base interactions energy: -179.329
where: short stacking energy: -75.477
Base-Backbone interact. energy: -0.278
local terms energy: -104.032652
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -297.801898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.801898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.801898 (E_RNA)
where:
Base-Base interactions energy: -175.109
where: short stacking energy: -90.396
Base-Backbone interact. energy: -0.330
local terms energy: -122.362721
where:
bonds (distance) C4'-P energy: -25.460
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -279.816184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.816184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.816184 (E_RNA)
where:
Base-Base interactions energy: -178.045
where: short stacking energy: -78.069
Base-Backbone interact. energy: -0.775
local terms energy: -100.995960
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -26.089
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -11.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -233.510644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.510644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.510644 (E_RNA)
where:
Base-Base interactions energy: -144.018
where: short stacking energy: -69.272
Base-Backbone interact. energy: -0.295
local terms energy: -89.197616
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -18.075
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: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -238.579223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.579223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.579223 (E_RNA)
where:
Base-Base interactions energy: -141.370
where: short stacking energy: -70.315
Base-Backbone interact. energy: -0.570
local terms energy: -96.639285
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -126.659325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.659325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.659325 (E_RNA)
where:
Base-Base interactions energy: -45.327
where: short stacking energy: -45.327
Base-Backbone interact. energy: -0.163
local terms energy: -81.169320
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -11.908
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: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -105.774509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.774509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.774509 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -31.552
Base-Backbone interact. energy: 0.519
local terms energy: -73.621614
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -418.295325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.295325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.295325 (E_RNA)
where:
Base-Base interactions energy: -294.304
where: short stacking energy: -118.181
Base-Backbone interact. energy: -2.040
local terms energy: -121.952179
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -31.093
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: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -320.656397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.656397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.656397 (E_RNA)
where:
Base-Base interactions energy: -214.991
where: short stacking energy: -93.906
Base-Backbone interact. energy: -0.348
local terms energy: -105.317760
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -296.264036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.264036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.264036 (E_RNA)
where:
Base-Base interactions energy: -184.682
where: short stacking energy: -95.439
Base-Backbone interact. energy: -0.053
local terms energy: -111.528381
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -27.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -308.102096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.102096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.102096 (E_RNA)
where:
Base-Base interactions energy: -194.837
where: short stacking energy: -90.162
Base-Backbone interact. energy: -0.445
local terms energy: -112.820268
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -25.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -314.038730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.038730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.038730 (E_RNA)
where:
Base-Base interactions energy: -201.278
where: short stacking energy: -97.887
Base-Backbone interact. energy: -0.547
local terms energy: -112.214099
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -26.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -306.110638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.110638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.110638 (E_RNA)
where:
Base-Base interactions energy: -201.836
where: short stacking energy: -92.228
Base-Backbone interact. energy: -0.352
local terms energy: -103.922296
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -27.847
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -23.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -263.216373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.216373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.216373 (E_RNA)
where:
Base-Base interactions energy: -167.900
where: short stacking energy: -82.434
Base-Backbone interact. energy: 0.775
local terms energy: -96.090871
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -209.514169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.514169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.514169 (E_RNA)
where:
Base-Base interactions energy: -144.416
where: short stacking energy: -61.912
Base-Backbone interact. energy: 0.738
local terms energy: -65.836693
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -111.418541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.418541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.418541 (E_RNA)
where:
Base-Base interactions energy: -28.958
where: short stacking energy: -26.861
Base-Backbone interact. energy: 0.301
local terms energy: -82.762139
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -17.437
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: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -129.961803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.961803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.961803 (E_RNA)
where:
Base-Base interactions energy: -54.415
where: short stacking energy: -49.604
Base-Backbone interact. energy: -0.628
local terms energy: -74.919141
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -9.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -402.878796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.878796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.878796 (E_RNA)
where:
Base-Base interactions energy: -284.447
where: short stacking energy: -106.304
Base-Backbone interact. energy: -1.011
local terms energy: -117.420830
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -24.701
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: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -321.572736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.572736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.572736 (E_RNA)
where:
Base-Base interactions energy: -214.152
where: short stacking energy: -94.004
Base-Backbone interact. energy: -0.321
local terms energy: -107.099755
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -293.389959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.389959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.389959 (E_RNA)
where:
Base-Base interactions energy: -183.202
where: short stacking energy: -94.975
Base-Backbone interact. energy: -0.099
local terms energy: -110.089225
where:
bonds (distance) C4'-P energy: -24.322
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -292.105488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.105488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.105488 (E_RNA)
where:
Base-Base interactions energy: -179.358
where: short stacking energy: -83.133
Base-Backbone interact. energy: 0.525
local terms energy: -113.272405
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -284.922279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.922279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.922279 (E_RNA)
where:
Base-Base interactions energy: -185.789
where: short stacking energy: -83.994
Base-Backbone interact. energy: 1.537
local terms energy: -100.669606
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -16.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -283.787123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.787123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.787123 (E_RNA)
where:
Base-Base interactions energy: -184.134
where: short stacking energy: -80.681
Base-Backbone interact. energy: -1.027
local terms energy: -98.626021
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -250.810458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.810458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.810458 (E_RNA)
where:
Base-Base interactions energy: -150.831
where: short stacking energy: -68.806
Base-Backbone interact. energy: 0.836
local terms energy: -100.815394
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -23.728
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -206.665052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.665052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.665052 (E_RNA)
where:
Base-Base interactions energy: -135.789
where: short stacking energy: -42.345
Base-Backbone interact. energy: -1.696
local terms energy: -69.180005
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -21.406
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -121.701894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.701894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.701894 (E_RNA)
where:
Base-Base interactions energy: -42.287
where: short stacking energy: -27.468
Base-Backbone interact. energy: 0.748
local terms energy: -80.162737
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -9.651
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: 10, replica: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -117.346477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.346477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.346477 (E_RNA)
where:
Base-Base interactions energy: -47.962
where: short stacking energy: -49.167
Base-Backbone interact. energy: -1.126
local terms energy: -68.258133
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -1.901
tors. eta vs tors. theta energy: -5.989
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: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -401.464894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.464894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.464894 (E_RNA)
where:
Base-Base interactions energy: -283.259
where: short stacking energy: -102.701
Base-Backbone interact. energy: -2.554
local terms energy: -115.651208
where:
bonds (distance) C4'-P energy: -25.663
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -316.075128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.075128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.075128 (E_RNA)
where:
Base-Base interactions energy: -201.981
where: short stacking energy: -93.039
Base-Backbone interact. energy: -0.781
local terms energy: -113.313214
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -27.284
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -300.654966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.654966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.654966 (E_RNA)
where:
Base-Base interactions energy: -199.158
where: short stacking energy: -87.845
Base-Backbone interact. energy: -0.317
local terms energy: -101.180228
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -291.000128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.000128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.000128 (E_RNA)
where:
Base-Base interactions energy: -180.288
where: short stacking energy: -95.150
Base-Backbone interact. energy: -0.010
local terms energy: -110.702552
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -24.823
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -24.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -292.145112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.145112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.145112 (E_RNA)
where:
Base-Base interactions energy: -182.857
where: short stacking energy: -72.575
Base-Backbone interact. energy: -0.481
local terms energy: -108.807595
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -23.515
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: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -282.645296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.645296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.645296 (E_RNA)
where:
Base-Base interactions energy: -172.399
where: short stacking energy: -80.268
Base-Backbone interact. energy: -0.427
local terms energy: -109.819713
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -226.149906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.149906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.149906 (E_RNA)
where:
Base-Base interactions energy: -142.032
where: short stacking energy: -60.757
Base-Backbone interact. energy: 1.396
local terms energy: -85.513964
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -8.284
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: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -261.597384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.597384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.597384 (E_RNA)
where:
Base-Base interactions energy: -169.821
where: short stacking energy: -79.199
Base-Backbone interact. energy: -0.233
local terms energy: -91.543790
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -27.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -128.519374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.519374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.519374 (E_RNA)
where:
Base-Base interactions energy: -45.825
where: short stacking energy: -44.409
Base-Backbone interact. energy: -0.384
local terms energy: -82.310164
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -103.682449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.682449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.682449 (E_RNA)
where:
Base-Base interactions energy: -33.135
where: short stacking energy: -28.765
Base-Backbone interact. energy: 4.209
local terms energy: -74.756708
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: 4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -405.328686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.328686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.328686 (E_RNA)
where:
Base-Base interactions energy: -286.797
where: short stacking energy: -103.484
Base-Backbone interact. energy: -2.872
local terms energy: -115.659222
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -25.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -317.372144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.372144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.372144 (E_RNA)
where:
Base-Base interactions energy: -208.267
where: short stacking energy: -85.949
Base-Backbone interact. energy: 0.326
local terms energy: -109.431222
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -317.193109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.193109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.193109 (E_RNA)
where:
Base-Base interactions energy: -201.237
where: short stacking energy: -93.800
Base-Backbone interact. energy: -0.121
local terms energy: -115.835517
where:
bonds (distance) C4'-P energy: -23.483
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -28.441
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: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -278.832476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.832476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.832476 (E_RNA)
where:
Base-Base interactions energy: -176.897
where: short stacking energy: -72.350
Base-Backbone interact. energy: -0.273
local terms energy: -101.662481
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -271.615382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.615382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.615382 (E_RNA)
where:
Base-Base interactions energy: -172.096
where: short stacking energy: -67.029
Base-Backbone interact. energy: -0.132
local terms energy: -99.387246
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -13.453
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: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -252.852596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.852596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.852596 (E_RNA)
where:
Base-Base interactions energy: -159.737
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.174
local terms energy: -92.942537
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -250.788656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.788656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.788656 (E_RNA)
where:
Base-Base interactions energy: -156.138
where: short stacking energy: -73.165
Base-Backbone interact. energy: -0.896
local terms energy: -93.754749
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -11.941
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: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -247.897520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.897520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.897520 (E_RNA)
where:
Base-Base interactions energy: -157.251
where: short stacking energy: -68.121
Base-Backbone interact. energy: 1.667
local terms energy: -92.312962
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -9.828
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: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -128.733349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.733349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.733349 (E_RNA)
where:
Base-Base interactions energy: -43.325
where: short stacking energy: -42.265
Base-Backbone interact. energy: 2.093
local terms energy: -87.500984
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -120.732606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.732606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.732606 (E_RNA)
where:
Base-Base interactions energy: -62.742
where: short stacking energy: -25.407
Base-Backbone interact. energy: -0.242
local terms energy: -57.748643
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: 1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -405.272497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.272497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.272497 (E_RNA)
where:
Base-Base interactions energy: -284.660
where: short stacking energy: -110.541
Base-Backbone interact. energy: -1.353
local terms energy: -119.258894
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -27.671
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: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -316.974513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.974513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.974513 (E_RNA)
where:
Base-Base interactions energy: -218.186
where: short stacking energy: -82.710
Base-Backbone interact. energy: -0.453
local terms energy: -98.335529
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -314.134167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.134167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.134167 (E_RNA)
where:
Base-Base interactions energy: -197.624
where: short stacking energy: -89.574
Base-Backbone interact. energy: -0.170
local terms energy: -116.340726
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -28.796
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -291.251735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.251735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.251735 (E_RNA)
where:
Base-Base interactions energy: -174.398
where: short stacking energy: -89.565
Base-Backbone interact. energy: -0.245
local terms energy: -116.608782
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -25.353
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: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -273.880985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.880985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.880985 (E_RNA)
where:
Base-Base interactions energy: -166.571
where: short stacking energy: -76.244
Base-Backbone interact. energy: -0.287
local terms energy: -107.022591
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -24.782
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -276.877922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.877922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.877922 (E_RNA)
where:
Base-Base interactions energy: -182.854
where: short stacking energy: -90.971
Base-Backbone interact. energy: 0.011
local terms energy: -94.034722
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -253.533356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.533356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.533356 (E_RNA)
where:
Base-Base interactions energy: -159.624
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.646
local terms energy: -93.263275
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -248.877138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.877138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.877138 (E_RNA)
where:
Base-Base interactions energy: -147.306
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.332
local terms energy: -101.238605
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -19.957
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -130.121562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.121562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.121562 (E_RNA)
where:
Base-Base interactions energy: -49.623
where: short stacking energy: -41.516
Base-Backbone interact. energy: -0.088
local terms energy: -80.410807
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -113.378676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.378676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.378676 (E_RNA)
where:
Base-Base interactions energy: -35.284
where: short stacking energy: -22.612
Base-Backbone interact. energy: 0.320
local terms energy: -78.415102
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -13.092
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: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -393.714449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.714449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.714449 (E_RNA)
where:
Base-Base interactions energy: -274.244
where: short stacking energy: -103.579
Base-Backbone interact. energy: -1.123
local terms energy: -118.346997
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -26.277
flat angles C4'-P-C4' energy: -27.106
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -312.921847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.921847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.921847 (E_RNA)
where:
Base-Base interactions energy: -196.487
where: short stacking energy: -94.924
Base-Backbone interact. energy: -0.079
local terms energy: -116.355961
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -26.844
flat angles P-C4'-P energy: -20.527
tors. eta vs tors. theta energy: -23.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -313.616959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.616959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.616959 (E_RNA)
where:
Base-Base interactions energy: -204.049
where: short stacking energy: -95.228
Base-Backbone interact. energy: -0.354
local terms energy: -109.213843
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -18.243
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: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -305.081361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.081361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.081361 (E_RNA)
where:
Base-Base interactions energy: -195.927
where: short stacking energy: -104.557
Base-Backbone interact. energy: -0.012
local terms energy: -109.142646
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -296.406019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.406019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.406019 (E_RNA)
where:
Base-Base interactions energy: -184.288
where: short stacking energy: -90.347
Base-Backbone interact. energy: -0.172
local terms energy: -111.945813
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -26.170
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: 357
Temperature: 1.150000
Total energy: -302.589033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.589033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.589033 (E_RNA)
where:
Base-Base interactions energy: -192.215
where: short stacking energy: -89.929
Base-Backbone interact. energy: -0.480
local terms energy: -109.893946
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -24.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -248.510910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.510910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.510910 (E_RNA)
where:
Base-Base interactions energy: -170.886
where: short stacking energy: -69.813
Base-Backbone interact. energy: -0.980
local terms energy: -76.644496
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -16.371
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: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -251.544501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.544501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.544501 (E_RNA)
where:
Base-Base interactions energy: -149.775
where: short stacking energy: -60.809
Base-Backbone interact. energy: -0.676
local terms energy: -101.092910
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -17.151
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: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -109.614100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.614100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.614100 (E_RNA)
where:
Base-Base interactions energy: -34.008
where: short stacking energy: -34.408
Base-Backbone interact. energy: -0.906
local terms energy: -74.700896
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -105.529989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.529989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.529989 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -35.893
Base-Backbone interact. energy: -0.103
local terms energy: -67.700499
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -8.103
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -402.627234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.627234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.627234 (E_RNA)
where:
Base-Base interactions energy: -282.643
where: short stacking energy: -116.076
Base-Backbone interact. energy: -2.108
local terms energy: -117.876894
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -33.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -337.383062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.383062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.383062 (E_RNA)
where:
Base-Base interactions energy: -230.561
where: short stacking energy: -95.709
Base-Backbone interact. energy: 0.099
local terms energy: -106.920840
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -28.752
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -298.736165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.736165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.736165 (E_RNA)
where:
Base-Base interactions energy: -193.335
where: short stacking energy: -88.342
Base-Backbone interact. energy: -0.134
local terms energy: -105.267211
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -22.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -324.262602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.262602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.262602 (E_RNA)
where:
Base-Base interactions energy: -208.026
where: short stacking energy: -92.562
Base-Backbone interact. energy: -1.396
local terms energy: -114.840794
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -26.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -297.949119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.949119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.949119 (E_RNA)
where:
Base-Base interactions energy: -195.927
where: short stacking energy: -93.456
Base-Backbone interact. energy: -0.121
local terms energy: -101.901494
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -27.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -291.269002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.269002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.269002 (E_RNA)
where:
Base-Base interactions energy: -175.251
where: short stacking energy: -87.097
Base-Backbone interact. energy: -0.378
local terms energy: -115.640571
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -24.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -258.116774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.116774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.116774 (E_RNA)
where:
Base-Base interactions energy: -171.047
where: short stacking energy: -74.767
Base-Backbone interact. energy: -0.103
local terms energy: -86.966980
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -251.335232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.335232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.335232 (E_RNA)
where:
Base-Base interactions energy: -173.010
where: short stacking energy: -78.467
Base-Backbone interact. energy: -1.002
local terms energy: -77.322708
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -11.365
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: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -115.914554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.914554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.914554 (E_RNA)
where:
Base-Base interactions energy: -28.457
where: short stacking energy: -24.904
Base-Backbone interact. energy: -0.210
local terms energy: -87.247338
where:
bonds (distance) C4'-P energy: -23.565
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -9.787
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: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -109.970122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.970122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.970122 (E_RNA)
where:
Base-Base interactions energy: -34.379
where: short stacking energy: -28.139
Base-Backbone interact. energy: 1.847
local terms energy: -77.437638
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -3.416
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: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -401.304281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.304281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.304281 (E_RNA)
where:
Base-Base interactions energy: -282.654
where: short stacking energy: -101.229
Base-Backbone interact. energy: -1.670
local terms energy: -116.980617
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -24.923
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: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -352.498861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.498861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.498861 (E_RNA)
where:
Base-Base interactions energy: -237.308
where: short stacking energy: -93.634
Base-Backbone interact. energy: -0.099
local terms energy: -115.092390
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -27.207
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -24.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -326.308469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.308469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.308469 (E_RNA)
where:
Base-Base interactions energy: -202.546
where: short stacking energy: -106.882
Base-Backbone interact. energy: -1.805
local terms energy: -121.957751
where:
bonds (distance) C4'-P energy: -24.154
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -26.874
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -31.368
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: 359
Temperature: 1.050000
Total energy: -308.235539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.235539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.235539 (E_RNA)
where:
Base-Base interactions energy: -201.375
where: short stacking energy: -77.223
Base-Backbone interact. energy: -0.397
local terms energy: -106.463646
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -28.998
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -25.999
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: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -304.635671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.635671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.635671 (E_RNA)
where:
Base-Base interactions energy: -198.629
where: short stacking energy: -89.865
Base-Backbone interact. energy: -0.107
local terms energy: -105.899883
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -280.671935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.671935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.671935 (E_RNA)
where:
Base-Base interactions energy: -183.742
where: short stacking energy: -92.190
Base-Backbone interact. energy: -1.198
local terms energy: -95.731805
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -26.881
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -264.310177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.310177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.310177 (E_RNA)
where:
Base-Base interactions energy: -167.689
where: short stacking energy: -71.222
Base-Backbone interact. energy: 0.538
local terms energy: -97.158428
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -27.109
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -258.576357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.576357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.576357 (E_RNA)
where:
Base-Base interactions energy: -165.614
where: short stacking energy: -71.442
Base-Backbone interact. energy: -1.205
local terms energy: -91.757669
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -11.469
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: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -121.581026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.581026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.581026 (E_RNA)
where:
Base-Base interactions energy: -44.432
where: short stacking energy: -38.902
Base-Backbone interact. energy: 0.158
local terms energy: -77.306314
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: 4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -117.664150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.664150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.664150 (E_RNA)
where:
Base-Base interactions energy: -37.306
where: short stacking energy: -28.557
Base-Backbone interact. energy: -0.529
local terms energy: -79.829257
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -28.657
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: 3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -404.769166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.769166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.769166 (E_RNA)
where:
Base-Base interactions energy: -285.456
where: short stacking energy: -112.376
Base-Backbone interact. energy: -2.167
local terms energy: -117.147108
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -28.395
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -26.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -340.992125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.992125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.992125 (E_RNA)
where:
Base-Base interactions energy: -225.837
where: short stacking energy: -86.593
Base-Backbone interact. energy: -1.483
local terms energy: -113.671708
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -26.906
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -24.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -310.062706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.062706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.062706 (E_RNA)
where:
Base-Base interactions energy: -204.367
where: short stacking energy: -102.590
Base-Backbone interact. energy: -0.190
local terms energy: -105.505962
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -27.761
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: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -288.388313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.388313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.388313 (E_RNA)
where:
Base-Base interactions energy: -176.276
where: short stacking energy: -94.487
Base-Backbone interact. energy: -0.206
local terms energy: -111.906975
where:
bonds (distance) C4'-P energy: -26.543
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -31.332
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -22.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -296.856738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.856738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.856738 (E_RNA)
where:
Base-Base interactions energy: -199.929
where: short stacking energy: -81.198
Base-Backbone interact. energy: -0.821
local terms energy: -96.107233
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -277.096124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.096124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.096124 (E_RNA)
where:
Base-Base interactions energy: -184.384
where: short stacking energy: -85.567
Base-Backbone interact. energy: -2.009
local terms energy: -90.702980
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -16.299
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: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -265.836398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.836398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.836398 (E_RNA)
where:
Base-Base interactions energy: -171.840
where: short stacking energy: -76.915
Base-Backbone interact. energy: -0.547
local terms energy: -93.448542
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -265.695819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.695819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.695819 (E_RNA)
where:
Base-Base interactions energy: -172.093
where: short stacking energy: -67.721
Base-Backbone interact. energy: -0.345
local terms energy: -93.257650
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -116.056040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.056040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.056040 (E_RNA)
where:
Base-Base interactions energy: -43.979
where: short stacking energy: -37.456
Base-Backbone interact. energy: 2.242
local terms energy: -74.318122
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -10.614
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: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -110.454223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.454223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.454223 (E_RNA)
where:
Base-Base interactions energy: -43.640
where: short stacking energy: -32.148
Base-Backbone interact. energy: -0.271
local terms energy: -66.542573
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -387.006095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.006095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.006095 (E_RNA)
where:
Base-Base interactions energy: -272.309
where: short stacking energy: -99.212
Base-Backbone interact. energy: -0.618
local terms energy: -114.079891
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -361.660524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.660524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.660524 (E_RNA)
where:
Base-Base interactions energy: -238.526
where: short stacking energy: -106.471
Base-Backbone interact. energy: -0.011
local terms energy: -123.123869
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -321.356648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.356648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.356648 (E_RNA)
where:
Base-Base interactions energy: -194.599
where: short stacking energy: -94.626
Base-Backbone interact. energy: -0.073
local terms energy: -126.684545
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -28.648
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: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -292.633649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.633649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.633649 (E_RNA)
where:
Base-Base interactions energy: -180.395
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.214
local terms energy: -112.024600
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -25.940
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -286.977669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.977669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.977669 (E_RNA)
where:
Base-Base interactions energy: -182.032
where: short stacking energy: -76.558
Base-Backbone interact. energy: -0.107
local terms energy: -104.839569
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -268.549269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.549269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.549269 (E_RNA)
where:
Base-Base interactions energy: -171.823
where: short stacking energy: -82.518
Base-Backbone interact. energy: -0.172
local terms energy: -96.553992
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -22.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -266.972889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.972889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.972889 (E_RNA)
where:
Base-Base interactions energy: -164.786
where: short stacking energy: -69.835
Base-Backbone interact. energy: -0.392
local terms energy: -101.794864
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -25.820
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -274.080811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.080811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.080811 (E_RNA)
where:
Base-Base interactions energy: -178.108
where: short stacking energy: -73.100
Base-Backbone interact. energy: -0.424
local terms energy: -95.549024
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -130.172395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.172395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.172395 (E_RNA)
where:
Base-Base interactions energy: -62.294
where: short stacking energy: -46.037
Base-Backbone interact. energy: 1.562
local terms energy: -69.440417
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -0.533
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: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -111.705016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.705016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.705016 (E_RNA)
where:
Base-Base interactions energy: -37.817
where: short stacking energy: -35.489
Base-Backbone interact. energy: 0.032
local terms energy: -73.919893
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -400.847238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.847238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.847238 (E_RNA)
where:
Base-Base interactions energy: -278.855
where: short stacking energy: -100.793
Base-Backbone interact. energy: -3.075
local terms energy: -118.917755
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -29.140
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -25.912
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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -363.912374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.912374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.912374 (E_RNA)
where:
Base-Base interactions energy: -247.712
where: short stacking energy: -116.115
Base-Backbone interact. energy: -0.044
local terms energy: -116.156217
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -27.760
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -31.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -313.795501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.795501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.795501 (E_RNA)
where:
Base-Base interactions energy: -200.690
where: short stacking energy: -105.328
Base-Backbone interact. energy: -0.288
local terms energy: -112.817741
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -28.891
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: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -328.389021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.389021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.389021 (E_RNA)
where:
Base-Base interactions energy: -220.042
where: short stacking energy: -87.749
Base-Backbone interact. energy: 0.394
local terms energy: -108.741026
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -271.664510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.664510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.664510 (E_RNA)
where:
Base-Base interactions energy: -164.813
where: short stacking energy: -68.997
Base-Backbone interact. energy: -0.922
local terms energy: -105.929580
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -27.600
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -14.842
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: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -288.837998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.837998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.837998 (E_RNA)
where:
Base-Base interactions energy: -191.136
where: short stacking energy: -82.288
Base-Backbone interact. energy: -0.136
local terms energy: -97.566295
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -13.143
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: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -274.846175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.846175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.846175 (E_RNA)
where:
Base-Base interactions energy: -183.482
where: short stacking energy: -84.036
Base-Backbone interact. energy: -0.132
local terms energy: -91.232254
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -21.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -263.299388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.299388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.299388 (E_RNA)
where:
Base-Base interactions energy: -168.670
where: short stacking energy: -75.599
Base-Backbone interact. energy: -0.479
local terms energy: -94.149700
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -117.738065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.738065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.738065 (E_RNA)
where:
Base-Base interactions energy: -46.642
where: short stacking energy: -37.856
Base-Backbone interact. energy: -0.738
local terms energy: -70.358480
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -27.098
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: 5.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -109.125523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.125523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.125523 (E_RNA)
where:
Base-Base interactions energy: -33.191
where: short stacking energy: -32.691
Base-Backbone interact. energy: -0.313
local terms energy: -75.621890
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -410.754254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.754254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.754254 (E_RNA)
where:
Base-Base interactions energy: -292.993
where: short stacking energy: -110.901
Base-Backbone interact. energy: 0.497
local terms energy: -118.258376
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -30.619
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: 363
Temperature: 0.950000
Total energy: -363.293637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.293637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.293637 (E_RNA)
where:
Base-Base interactions energy: -238.954
where: short stacking energy: -109.793
Base-Backbone interact. energy: -1.227
local terms energy: -123.112871
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -24.699
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -35.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -309.200872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.200872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.200872 (E_RNA)
where:
Base-Base interactions energy: -194.420
where: short stacking energy: -86.708
Base-Backbone interact. energy: -0.072
local terms energy: -114.708937
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -23.757
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: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -315.346848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.346848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.346848 (E_RNA)
where:
Base-Base interactions energy: -200.655
where: short stacking energy: -92.321
Base-Backbone interact. energy: 0.779
local terms energy: -115.470454
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -29.393
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -23.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -286.424008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.424008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.424008 (E_RNA)
where:
Base-Base interactions energy: -176.279
where: short stacking energy: -88.655
Base-Backbone interact. energy: 1.125
local terms energy: -111.270364
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -25.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -283.579023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.579023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.579023 (E_RNA)
where:
Base-Base interactions energy: -180.100
where: short stacking energy: -82.373
Base-Backbone interact. energy: -0.697
local terms energy: -102.781654
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -277.578648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.578648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.578648 (E_RNA)
where:
Base-Base interactions energy: -180.025
where: short stacking energy: -71.583
Base-Backbone interact. energy: -1.404
local terms energy: -96.149860
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -18.525
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: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -245.021321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.021321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.021321 (E_RNA)
where:
Base-Base interactions energy: -161.034
where: short stacking energy: -72.565
Base-Backbone interact. energy: -0.418
local terms energy: -83.569430
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: -10.174
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: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -120.129235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.129235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.129235 (E_RNA)
where:
Base-Base interactions energy: -50.495
where: short stacking energy: -38.901
Base-Backbone interact. energy: -0.026
local terms energy: -69.608858
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: 5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -104.461182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.461182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.461182 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.587
local terms energy: -66.971298
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: 8.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -404.847186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.847186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.847186 (E_RNA)
where:
Base-Base interactions energy: -278.760
where: short stacking energy: -102.212
Base-Backbone interact. energy: -1.714
local terms energy: -124.372853
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -26.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -368.416244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.416244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.416244 (E_RNA)
where:
Base-Base interactions energy: -241.441
where: short stacking energy: -113.494
Base-Backbone interact. energy: -0.030
local terms energy: -126.944812
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -30.469
flat angles C4'-P-C4' energy: -27.049
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -30.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -293.596828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.596828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.596828 (E_RNA)
where:
Base-Base interactions energy: -174.971
where: short stacking energy: -85.096
Base-Backbone interact. energy: -0.074
local terms energy: -118.552279
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -28.250
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -20.313
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: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -288.830163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.830163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.830163 (E_RNA)
where:
Base-Base interactions energy: -164.808
where: short stacking energy: -78.295
Base-Backbone interact. energy: -0.765
local terms energy: -123.256556
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -19.607
tors. eta vs tors. theta energy: -25.640
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: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -300.843390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.843390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.843390 (E_RNA)
where:
Base-Base interactions energy: -192.266
where: short stacking energy: -82.228
Base-Backbone interact. energy: -1.272
local terms energy: -107.305942
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -22.257
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: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -249.737766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.737766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.737766 (E_RNA)
where:
Base-Base interactions energy: -150.800
where: short stacking energy: -68.632
Base-Backbone interact. energy: 5.291
local terms energy: -104.228133
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -25.193
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -17.324
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: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -256.725474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.725474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.725474 (E_RNA)
where:
Base-Base interactions energy: -165.701
where: short stacking energy: -69.992
Base-Backbone interact. energy: -0.231
local terms energy: -90.792838
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -13.318
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: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -261.349317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.349317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.349317 (E_RNA)
where:
Base-Base interactions energy: -174.348
where: short stacking energy: -71.571
Base-Backbone interact. energy: -0.798
local terms energy: -86.203119
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -13.581
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: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -114.171778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.171778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.171778 (E_RNA)
where:
Base-Base interactions energy: -42.949
where: short stacking energy: -37.171
Base-Backbone interact. energy: 0.295
local terms energy: -71.517663
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -24.171
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -114.517147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.517147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.517147 (E_RNA)
where:
Base-Base interactions energy: -47.726
where: short stacking energy: -33.024
Base-Backbone interact. energy: -0.212
local terms energy: -66.579155
where:
bonds (distance) C4'-P energy: -23.469
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -7.376
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -395.303997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.303997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.303997 (E_RNA)
where:
Base-Base interactions energy: -277.153
where: short stacking energy: -101.689
Base-Backbone interact. energy: -1.361
local terms energy: -116.790194
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -28.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -348.598539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.598539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.598539 (E_RNA)
where:
Base-Base interactions energy: -223.084
where: short stacking energy: -111.982
Base-Backbone interact. energy: -0.364
local terms energy: -125.151362
where:
bonds (distance) C4'-P energy: -29.307
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -31.623
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: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -290.638647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.638647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.638647 (E_RNA)
where:
Base-Base interactions energy: -176.606
where: short stacking energy: -86.165
Base-Backbone interact. energy: 0.961
local terms energy: -114.993722
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -23.785
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: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -301.347293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.347293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.347293 (E_RNA)
where:
Base-Base interactions energy: -194.175
where: short stacking energy: -88.903
Base-Backbone interact. energy: -1.051
local terms energy: -106.121470
where:
bonds (distance) C4'-P energy: -24.839
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -22.398
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: 365
Temperature: 1.100000
Total energy: -285.120721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.120721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.120721 (E_RNA)
where:
Base-Base interactions energy: -190.442
where: short stacking energy: -78.997
Base-Backbone interact. energy: -0.383
local terms energy: -94.295257
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -281.075337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.075337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.075337 (E_RNA)
where:
Base-Base interactions energy: -176.919
where: short stacking energy: -75.037
Base-Backbone interact. energy: -0.460
local terms energy: -103.696831
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -258.936017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.936017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.936017 (E_RNA)
where:
Base-Base interactions energy: -157.555
where: short stacking energy: -76.599
Base-Backbone interact. energy: -0.210
local terms energy: -101.171039
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -17.649
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: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -250.498023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.498023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.498023 (E_RNA)
where:
Base-Base interactions energy: -171.076
where: short stacking energy: -63.697
Base-Backbone interact. energy: -1.948
local terms energy: -77.474281
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -117.036306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.036306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.036306 (E_RNA)
where:
Base-Base interactions energy: -33.227
where: short stacking energy: -23.602
Base-Backbone interact. energy: -0.270
local terms energy: -83.539080
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -112.025392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.025392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.025392 (E_RNA)
where:
Base-Base interactions energy: -42.406
where: short stacking energy: -37.605
Base-Backbone interact. energy: 0.965
local terms energy: -70.584095
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -5.850
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: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -395.775376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.775376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.775376 (E_RNA)
where:
Base-Base interactions energy: -282.487
where: short stacking energy: -101.530
Base-Backbone interact. energy: -2.384
local terms energy: -110.904456
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -353.005860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.005860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.005860 (E_RNA)
where:
Base-Base interactions energy: -225.620
where: short stacking energy: -103.790
Base-Backbone interact. energy: -0.175
local terms energy: -127.210781
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -27.345
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -29.988
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: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -290.548675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.548675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.548675 (E_RNA)
where:
Base-Base interactions energy: -186.627
where: short stacking energy: -88.926
Base-Backbone interact. energy: 0.625
local terms energy: -104.547032
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -18.204
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: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -311.408796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.408796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.408796 (E_RNA)
where:
Base-Base interactions energy: -190.979
where: short stacking energy: -92.232
Base-Backbone interact. energy: 0.445
local terms energy: -120.875221
where:
bonds (distance) C4'-P energy: -24.504
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -23.728
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: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -282.379226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.379226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.379226 (E_RNA)
where:
Base-Base interactions energy: -179.112
where: short stacking energy: -90.888
Base-Backbone interact. energy: -0.205
local terms energy: -103.061597
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -20.859
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: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -295.643968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.643968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.643968 (E_RNA)
where:
Base-Base interactions energy: -189.409
where: short stacking energy: -88.344
Base-Backbone interact. energy: -0.189
local terms energy: -106.046092
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -24.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -248.575836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.575836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.575836 (E_RNA)
where:
Base-Base interactions energy: -163.996
where: short stacking energy: -66.559
Base-Backbone interact. energy: 2.612
local terms energy: -87.191123
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -12.229
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: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -243.517249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.517249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.517249 (E_RNA)
where:
Base-Base interactions energy: -152.907
where: short stacking energy: -59.988
Base-Backbone interact. energy: -0.467
local terms energy: -90.143277
where:
bonds (distance) C4'-P energy: -26.716
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -9.561
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: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -119.144720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.144720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.144720 (E_RNA)
where:
Base-Base interactions energy: -49.759
where: short stacking energy: -49.236
Base-Backbone interact. energy: -0.328
local terms energy: -69.058205
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -16.609
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: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -108.904638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.904638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.904638 (E_RNA)
where:
Base-Base interactions energy: -30.576
where: short stacking energy: -19.179
Base-Backbone interact. energy: -0.531
local terms energy: -77.797873
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -402.290406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.290406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.290406 (E_RNA)
where:
Base-Base interactions energy: -288.807
where: short stacking energy: -96.628
Base-Backbone interact. energy: -1.634
local terms energy: -111.849829
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -343.955626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.955626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.955626 (E_RNA)
where:
Base-Base interactions energy: -229.421
where: short stacking energy: -103.352
Base-Backbone interact. energy: -0.060
local terms energy: -114.474930
where:
bonds (distance) C4'-P energy: -23.010
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -28.201
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -313.080721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.080721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.080721 (E_RNA)
where:
Base-Base interactions energy: -199.965
where: short stacking energy: -89.682
Base-Backbone interact. energy: -0.432
local terms energy: -112.684030
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -26.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -324.246019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.246019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.246019 (E_RNA)
where:
Base-Base interactions energy: -214.318
where: short stacking energy: -99.337
Base-Backbone interact. energy: -0.142
local terms energy: -109.785587
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -26.100
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -30.235
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: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -274.591870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.591870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.591870 (E_RNA)
where:
Base-Base interactions energy: -188.892
where: short stacking energy: -76.899
Base-Backbone interact. energy: -0.607
local terms energy: -85.093050
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -272.940140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.940140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.940140 (E_RNA)
where:
Base-Base interactions energy: -170.716
where: short stacking energy: -88.566
Base-Backbone interact. energy: -0.707
local terms energy: -101.516684
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -13.377
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: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -258.984217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.984217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.984217 (E_RNA)
where:
Base-Base interactions energy: -155.266
where: short stacking energy: -76.588
Base-Backbone interact. energy: -0.128
local terms energy: -103.590203
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -254.470326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.470326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.470326 (E_RNA)
where:
Base-Base interactions energy: -159.967
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.392
local terms energy: -94.111755
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -26.582
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -8.655
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: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -132.453672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.453672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.453672 (E_RNA)
where:
Base-Base interactions energy: -45.979
where: short stacking energy: -35.774
Base-Backbone interact. energy: 0.019
local terms energy: -86.493515
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -8.572
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: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -117.230887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.230887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.230887 (E_RNA)
where:
Base-Base interactions energy: -36.834
where: short stacking energy: -33.860
Base-Backbone interact. energy: -0.139
local terms energy: -80.258356
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -404.220515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.220515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.220515 (E_RNA)
where:
Base-Base interactions energy: -283.707
where: short stacking energy: -99.317
Base-Backbone interact. energy: -2.652
local terms energy: -117.861714
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -22.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -348.651645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.651645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.651645 (E_RNA)
where:
Base-Base interactions energy: -241.405
where: short stacking energy: -91.944
Base-Backbone interact. energy: -0.350
local terms energy: -106.896946
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -22.271
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: 368
Temperature: 1.000000
Total energy: -308.483932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.483932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.483932 (E_RNA)
where:
Base-Base interactions energy: -200.911
where: short stacking energy: -88.717
Base-Backbone interact. energy: -0.312
local terms energy: -107.260587
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -20.486
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: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -305.692493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.692493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.692493 (E_RNA)
where:
Base-Base interactions energy: -198.291
where: short stacking energy: -85.788
Base-Backbone interact. energy: -1.142
local terms energy: -106.259393
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -284.741697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.741697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.741697 (E_RNA)
where:
Base-Base interactions energy: -182.511
where: short stacking energy: -87.273
Base-Backbone interact. energy: -0.116
local terms energy: -102.114958
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -253.189055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.189055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.189055 (E_RNA)
where:
Base-Base interactions energy: -163.369
where: short stacking energy: -68.989
Base-Backbone interact. energy: -0.026
local terms energy: -89.794436
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -267.752695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.752695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.752695 (E_RNA)
where:
Base-Base interactions energy: -171.537
where: short stacking energy: -78.730
Base-Backbone interact. energy: -0.206
local terms energy: -96.009763
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -225.355155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.355155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.355155 (E_RNA)
where:
Base-Base interactions energy: -135.892
where: short stacking energy: -53.224
Base-Backbone interact. energy: -0.595
local terms energy: -88.868181
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -153.231849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.231849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.231849 (E_RNA)
where:
Base-Base interactions energy: -71.659
where: short stacking energy: -41.247
Base-Backbone interact. energy: -0.239
local terms energy: -81.334011
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -8.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -133.225826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.225826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.225826 (E_RNA)
where:
Base-Base interactions energy: -54.772
where: short stacking energy: -50.595
Base-Backbone interact. energy: -0.465
local terms energy: -77.989015
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -391.861633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.861633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.861633 (E_RNA)
where:
Base-Base interactions energy: -292.172
where: short stacking energy: -114.797
Base-Backbone interact. energy: -0.542
local terms energy: -99.146913
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -30.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -359.963541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.963541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.963541 (E_RNA)
where:
Base-Base interactions energy: -232.339
where: short stacking energy: -107.220
Base-Backbone interact. energy: -0.297
local terms energy: -127.327945
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -33.237
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: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -301.939549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.939549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.939549 (E_RNA)
where:
Base-Base interactions energy: -191.666
where: short stacking energy: -74.790
Base-Backbone interact. energy: -0.163
local terms energy: -110.110648
where:
bonds (distance) C4'-P energy: -26.162
bonds (distance) P-C4' energy: -25.647
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -14.487
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: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -282.227945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.227945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.227945 (E_RNA)
where:
Base-Base interactions energy: -178.963
where: short stacking energy: -82.741
Base-Backbone interact. energy: -0.050
local terms energy: -103.214448
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -290.959944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.959944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.959944 (E_RNA)
where:
Base-Base interactions energy: -186.740
where: short stacking energy: -75.713
Base-Backbone interact. energy: -0.025
local terms energy: -104.195242
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -25.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -283.717564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.717564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.717564 (E_RNA)
where:
Base-Base interactions energy: -177.958
where: short stacking energy: -80.275
Base-Backbone interact. energy: -0.629
local terms energy: -105.130694
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -247.698905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.698905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.698905 (E_RNA)
where:
Base-Base interactions energy: -156.521
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.680
local terms energy: -90.497089
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -8.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -210.878199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.878199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.878199 (E_RNA)
where:
Base-Base interactions energy: -127.117
where: short stacking energy: -60.611
Base-Backbone interact. energy: 1.460
local terms energy: -85.220629
where:
bonds (distance) C4'-P energy: -26.363
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -147.733538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.733538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.733538 (E_RNA)
where:
Base-Base interactions energy: -66.045
where: short stacking energy: -34.496
Base-Backbone interact. energy: -0.274
local terms energy: -81.414403
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -8.023
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: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -118.416848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.416848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.416848 (E_RNA)
where:
Base-Base interactions energy: -42.556
where: short stacking energy: -32.505
Base-Backbone interact. energy: 0.138
local terms energy: -75.998578
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -28.417
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: 3.577
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: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -404.899599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.899599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.899599 (E_RNA)
where:
Base-Base interactions energy: -285.367
where: short stacking energy: -110.394
Base-Backbone interact. energy: -1.568
local terms energy: -117.964886
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -27.078
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -29.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -353.988205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.988205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.988205 (E_RNA)
where:
Base-Base interactions energy: -237.300
where: short stacking energy: -100.978
Base-Backbone interact. energy: -0.147
local terms energy: -116.542024
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -26.150
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: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -319.750741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.750741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.750741 (E_RNA)
where:
Base-Base interactions energy: -213.284
where: short stacking energy: -94.561
Base-Backbone interact. energy: -0.158
local terms energy: -106.309224
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -28.504
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -299.204991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.204991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.204991 (E_RNA)
where:
Base-Base interactions energy: -190.151
where: short stacking energy: -88.474
Base-Backbone interact. energy: -0.099
local terms energy: -108.954985
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -294.558419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.558419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.558419 (E_RNA)
where:
Base-Base interactions energy: -185.481
where: short stacking energy: -85.546
Base-Backbone interact. energy: 2.758
local terms energy: -111.834602
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -30.267
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: 370
Temperature: 1.150000
Total energy: -310.575803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.575803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.575803 (E_RNA)
where:
Base-Base interactions energy: -202.173
where: short stacking energy: -93.514
Base-Backbone interact. energy: 0.359
local terms energy: -108.761542
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -221.723811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.723811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.723811 (E_RNA)
where:
Base-Base interactions energy: -132.266
where: short stacking energy: -54.953
Base-Backbone interact. energy: 0.379
local terms energy: -89.837035
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -13.973
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: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -239.085988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.085988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.085988 (E_RNA)
where:
Base-Base interactions energy: -160.117
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.430
local terms energy: -78.539172
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -11.430
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: 9, replica: 2
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -130.261917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.261917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.261917 (E_RNA)
where:
Base-Base interactions energy: -57.775
where: short stacking energy: -39.267
Base-Backbone interact. energy: -0.228
local terms energy: -72.258871
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: 6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -113.710572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.710572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.710572 (E_RNA)
where:
Base-Base interactions energy: -46.217
where: short stacking energy: -44.725
Base-Backbone interact. energy: -0.068
local terms energy: -67.425732
where:
bonds (distance) C4'-P energy: -28.002
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: 0.752
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -404.506416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.506416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.506416 (E_RNA)
where:
Base-Base interactions energy: -283.700
where: short stacking energy: -114.938
Base-Backbone interact. energy: -1.207
local terms energy: -119.599345
where:
bonds (distance) C4'-P energy: -24.142
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -31.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -330.686152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.686152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.686152 (E_RNA)
where:
Base-Base interactions energy: -232.712
where: short stacking energy: -96.857
Base-Backbone interact. energy: -0.099
local terms energy: -97.874333
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -12.927
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: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -338.585693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.585693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.585693 (E_RNA)
where:
Base-Base interactions energy: -232.533
where: short stacking energy: -100.646
Base-Backbone interact. energy: -0.609
local terms energy: -105.442788
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -293.145109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.145109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.145109 (E_RNA)
where:
Base-Base interactions energy: -185.844
where: short stacking energy: -81.208
Base-Backbone interact. energy: 0.246
local terms energy: -107.546718
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -21.913
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: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -287.190381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.190381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.190381 (E_RNA)
where:
Base-Base interactions energy: -187.626
where: short stacking energy: -91.317
Base-Backbone interact. energy: -0.737
local terms energy: -98.827290
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -26.123
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -281.017716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.017716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.017716 (E_RNA)
where:
Base-Base interactions energy: -182.254
where: short stacking energy: -78.897
Base-Backbone interact. energy: 0.180
local terms energy: -98.944119
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -21.528
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: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -218.868105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.868105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.868105 (E_RNA)
where:
Base-Base interactions energy: -131.197
where: short stacking energy: -57.364
Base-Backbone interact. energy: -0.187
local terms energy: -87.484640
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -22.857
flat angles P-C4'-P energy: -11.509
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: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -235.270990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.270990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.270990 (E_RNA)
where:
Base-Base interactions energy: -150.472
where: short stacking energy: -61.497
Base-Backbone interact. energy: -0.249
local terms energy: -84.550856
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -118.937618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.937618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.937618 (E_RNA)
where:
Base-Base interactions energy: -40.651
where: short stacking energy: -41.252
Base-Backbone interact. energy: -0.859
local terms energy: -77.428345
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -10.976
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: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -113.203050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.203050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.203050 (E_RNA)
where:
Base-Base interactions energy: -32.054
where: short stacking energy: -30.441
Base-Backbone interact. energy: -0.570
local terms energy: -80.578675
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -399.390064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.390064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.390064 (E_RNA)
where:
Base-Base interactions energy: -277.227
where: short stacking energy: -112.431
Base-Backbone interact. energy: -0.438
local terms energy: -121.725327
where:
bonds (distance) C4'-P energy: -27.258
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -30.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -355.388465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.388465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.388465 (E_RNA)
where:
Base-Base interactions energy: -238.572
where: short stacking energy: -102.754
Base-Backbone interact. energy: -0.024
local terms energy: -116.792291
where:
bonds (distance) C4'-P energy: -23.885
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -21.494
tors. eta vs tors. theta energy: -26.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -314.763605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.763605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.763605 (E_RNA)
where:
Base-Base interactions energy: -208.560
where: short stacking energy: -105.984
Base-Backbone interact. energy: -0.579
local terms energy: -105.624343
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -26.234
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -29.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -284.358090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.358090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.358090 (E_RNA)
where:
Base-Base interactions energy: -186.915
where: short stacking energy: -81.177
Base-Backbone interact. energy: -0.354
local terms energy: -97.088979
where:
bonds (distance) C4'-P energy: -25.725
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -12.561
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: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -290.794053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.794053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.794053 (E_RNA)
where:
Base-Base interactions energy: -187.712
where: short stacking energy: -93.450
Base-Backbone interact. energy: -0.184
local terms energy: -102.897429
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -16.975
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: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -290.504829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.504829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.504829 (E_RNA)
where:
Base-Base interactions energy: -185.617
where: short stacking energy: -89.301
Base-Backbone interact. energy: -0.733
local terms energy: -104.154466
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -251.182721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.182721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.182721 (E_RNA)
where:
Base-Base interactions energy: -155.138
where: short stacking energy: -68.211
Base-Backbone interact. energy: -0.146
local terms energy: -95.898685
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -26.319
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -236.661863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.661863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.661863 (E_RNA)
where:
Base-Base interactions energy: -139.124
where: short stacking energy: -64.322
Base-Backbone interact. energy: -0.403
local terms energy: -97.134920
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -118.045053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.045053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.045053 (E_RNA)
where:
Base-Base interactions energy: -47.921
where: short stacking energy: -42.059
Base-Backbone interact. energy: 0.465
local terms energy: -70.589034
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -5.604
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -110.125471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.125471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.125471 (E_RNA)
where:
Base-Base interactions energy: -32.790
where: short stacking energy: -32.242
Base-Backbone interact. energy: -0.073
local terms energy: -77.262063
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -411.622206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.622206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.622206 (E_RNA)
where:
Base-Base interactions energy: -286.020
where: short stacking energy: -118.203
Base-Backbone interact. energy: -2.055
local terms energy: -123.546936
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -30.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -355.478433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.478433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.478433 (E_RNA)
where:
Base-Base interactions energy: -246.080
where: short stacking energy: -98.170
Base-Backbone interact. energy: -0.588
local terms energy: -108.810377
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -23.143
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -24.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -314.061679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.061679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.061679 (E_RNA)
where:
Base-Base interactions energy: -195.432
where: short stacking energy: -99.013
Base-Backbone interact. energy: -0.242
local terms energy: -118.388210
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -320.298833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.298833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.298833 (E_RNA)
where:
Base-Base interactions energy: -217.574
where: short stacking energy: -99.636
Base-Backbone interact. energy: -0.449
local terms energy: -102.275556
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -23.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -290.456543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.456543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.456543 (E_RNA)
where:
Base-Base interactions energy: -203.578
where: short stacking energy: -76.337
Base-Backbone interact. energy: 1.784
local terms energy: -88.662027
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -15.042
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: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -256.099874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.099874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.099874 (E_RNA)
where:
Base-Base interactions energy: -160.157
where: short stacking energy: -77.741
Base-Backbone interact. energy: -0.284
local terms energy: -95.659661
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -283.202668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.202668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.202668 (E_RNA)
where:
Base-Base interactions energy: -176.361
where: short stacking energy: -85.650
Base-Backbone interact. energy: 0.469
local terms energy: -107.310860
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -25.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -227.413426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.413426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.413426 (E_RNA)
where:
Base-Base interactions energy: -141.878
where: short stacking energy: -69.790
Base-Backbone interact. energy: 0.590
local terms energy: -86.124915
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -24.137
flat angles P-C4'-P energy: -8.646
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: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -123.187051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.187051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.187051 (E_RNA)
where:
Base-Base interactions energy: -51.969
where: short stacking energy: -44.678
Base-Backbone interact. energy: -0.823
local terms energy: -70.395009
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -111.002514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.002514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.002514 (E_RNA)
where:
Base-Base interactions energy: -30.465
where: short stacking energy: -29.811
Base-Backbone interact. energy: -0.155
local terms energy: -80.382948
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -408.185384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.185384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.185384 (E_RNA)
where:
Base-Base interactions energy: -289.124
where: short stacking energy: -102.432
Base-Backbone interact. energy: -1.301
local terms energy: -117.760119
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -29.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -338.093015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.093015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.093015 (E_RNA)
where:
Base-Base interactions energy: -206.924
where: short stacking energy: -110.122
Base-Backbone interact. energy: -0.692
local terms energy: -130.477562
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -33.677
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: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -326.932211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.932211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.932211 (E_RNA)
where:
Base-Base interactions energy: -217.927
where: short stacking energy: -98.839
Base-Backbone interact. energy: -0.943
local terms energy: -108.062501
where:
bonds (distance) C4'-P energy: -23.849
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -296.832837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.832837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.832837 (E_RNA)
where:
Base-Base interactions energy: -186.650
where: short stacking energy: -89.942
Base-Backbone interact. energy: -0.072
local terms energy: -110.110699
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -26.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -301.414205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.414205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.414205 (E_RNA)
where:
Base-Base interactions energy: -192.783
where: short stacking energy: -84.407
Base-Backbone interact. energy: -0.402
local terms energy: -108.228815
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -259.752187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.752187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.752187 (E_RNA)
where:
Base-Base interactions energy: -159.231
where: short stacking energy: -82.635
Base-Backbone interact. energy: 1.395
local terms energy: -101.916419
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -23.829
flat angles C4'-P-C4' energy: -26.157
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -254.520658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.520658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.520658 (E_RNA)
where:
Base-Base interactions energy: -149.533
where: short stacking energy: -64.233
Base-Backbone interact. energy: 0.334
local terms energy: -105.321445
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -26.658
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -11.110
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: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -232.328094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.328094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.328094 (E_RNA)
where:
Base-Base interactions energy: -139.253
where: short stacking energy: -73.093
Base-Backbone interact. energy: -0.095
local terms energy: -92.980012
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -18.865
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: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -127.895216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.895216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.895216 (E_RNA)
where:
Base-Base interactions energy: -45.986
where: short stacking energy: -43.066
Base-Backbone interact. energy: -1.585
local terms energy: -80.325022
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: 1.887
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: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -126.725200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.725200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.725200 (E_RNA)
where:
Base-Base interactions energy: -44.362
where: short stacking energy: -38.872
Base-Backbone interact. energy: 0.431
local terms energy: -82.794064
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -398.546177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.546177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.546177 (E_RNA)
where:
Base-Base interactions energy: -280.451
where: short stacking energy: -102.687
Base-Backbone interact. energy: -1.968
local terms energy: -116.127078
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -27.267
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -24.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -339.543437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.543437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.543437 (E_RNA)
where:
Base-Base interactions energy: -209.161
where: short stacking energy: -100.588
Base-Backbone interact. energy: -0.236
local terms energy: -130.146734
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -25.430
flat angles C4'-P-C4' energy: -26.465
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -32.197
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: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -329.476496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.476496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.476496 (E_RNA)
where:
Base-Base interactions energy: -218.220
where: short stacking energy: -102.278
Base-Backbone interact. energy: -0.685
local terms energy: -110.571119
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -28.085
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -26.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -316.638160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.638160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.638160 (E_RNA)
where:
Base-Base interactions energy: -203.527
where: short stacking energy: -93.809
Base-Backbone interact. energy: -0.081
local terms energy: -113.030597
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -27.748
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: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -272.332045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.332045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.332045 (E_RNA)
where:
Base-Base interactions energy: -164.578
where: short stacking energy: -84.174
Base-Backbone interact. energy: -0.123
local terms energy: -107.631027
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -24.582
flat angles P-C4'-P energy: -20.260
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -272.961385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.961385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.961385 (E_RNA)
where:
Base-Base interactions energy: -189.506
where: short stacking energy: -82.428
Base-Backbone interact. energy: -1.720
local terms energy: -81.735497
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -18.073
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: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -240.094476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.094476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.094476 (E_RNA)
where:
Base-Base interactions energy: -154.180
where: short stacking energy: -77.422
Base-Backbone interact. energy: -0.490
local terms energy: -85.424730
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -14.210
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: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -250.809577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.809577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.809577 (E_RNA)
where:
Base-Base interactions energy: -157.802
where: short stacking energy: -68.916
Base-Backbone interact. energy: 0.445
local terms energy: -93.452806
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -22.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -171.701238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.701238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.701238 (E_RNA)
where:
Base-Base interactions energy: -89.972
where: short stacking energy: -41.066
Base-Backbone interact. energy: 0.304
local terms energy: -82.033270
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -16.841
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: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -106.614049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.614049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.614049 (E_RNA)
where:
Base-Base interactions energy: -28.946
where: short stacking energy: -22.144
Base-Backbone interact. energy: 2.659
local terms energy: -80.326605
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -6.749
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: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -390.434283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.434283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.434283 (E_RNA)
where:
Base-Base interactions energy: -280.962
where: short stacking energy: -107.207
Base-Backbone interact. energy: -1.980
local terms energy: -107.491997
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -23.762
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: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -339.859691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.859691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.859691 (E_RNA)
where:
Base-Base interactions energy: -215.254
where: short stacking energy: -103.208
Base-Backbone interact. energy: -0.226
local terms energy: -124.379724
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -30.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -337.358455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.358455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.358455 (E_RNA)
where:
Base-Base interactions energy: -231.113
where: short stacking energy: -110.298
Base-Backbone interact. energy: -0.429
local terms energy: -105.815977
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -31.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -323.516782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.516782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.516782 (E_RNA)
where:
Base-Base interactions energy: -202.969
where: short stacking energy: -92.457
Base-Backbone interact. energy: -0.547
local terms energy: -120.001394
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -26.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -263.306792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.306792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.306792 (E_RNA)
where:
Base-Base interactions energy: -176.523
where: short stacking energy: -70.652
Base-Backbone interact. energy: -1.217
local terms energy: -85.566974
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -25.093
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -259.278469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.278469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.278469 (E_RNA)
where:
Base-Base interactions energy: -162.523
where: short stacking energy: -73.578
Base-Backbone interact. energy: -0.117
local terms energy: -96.638908
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -11.163
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: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -261.372233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.372233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.372233 (E_RNA)
where:
Base-Base interactions energy: -172.783
where: short stacking energy: -77.716
Base-Backbone interact. energy: -0.114
local terms energy: -88.474844
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -226.364916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.364916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.364916 (E_RNA)
where:
Base-Base interactions energy: -147.750
where: short stacking energy: -59.636
Base-Backbone interact. energy: 2.601
local terms energy: -81.215966
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -216.149556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.149556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.149556 (E_RNA)
where:
Base-Base interactions energy: -135.893
where: short stacking energy: -57.000
Base-Backbone interact. energy: -0.246
local terms energy: -80.010110
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -24.337
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -9.125
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: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -118.647142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.647142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.647142 (E_RNA)
where:
Base-Base interactions energy: -37.546
where: short stacking energy: -29.386
Base-Backbone interact. energy: -0.103
local terms energy: -80.998311
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: 1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -392.663271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.663271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.663271 (E_RNA)
where:
Base-Base interactions energy: -279.810
where: short stacking energy: -106.008
Base-Backbone interact. energy: -0.938
local terms energy: -111.915322
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -338.561107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.561107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.561107 (E_RNA)
where:
Base-Base interactions energy: -225.896
where: short stacking energy: -108.834
Base-Backbone interact. energy: -1.898
local terms energy: -110.766343
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -28.392
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -335.218352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.218352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.218352 (E_RNA)
where:
Base-Base interactions energy: -218.674
where: short stacking energy: -99.584
Base-Backbone interact. energy: -0.521
local terms energy: -116.023179
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -28.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -298.700574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.700574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.700574 (E_RNA)
where:
Base-Base interactions energy: -192.623
where: short stacking energy: -97.666
Base-Backbone interact. energy: 0.805
local terms energy: -106.882624
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -25.265
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -24.810
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: 377
Temperature: 1.100000
Total energy: -278.693277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.693277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.693277 (E_RNA)
where:
Base-Base interactions energy: -176.981
where: short stacking energy: -76.322
Base-Backbone interact. energy: -0.177
local terms energy: -101.534611
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -27.437
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -19.334
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: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -256.664924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.664924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.664924 (E_RNA)
where:
Base-Base interactions energy: -162.975
where: short stacking energy: -84.234
Base-Backbone interact. energy: -1.257
local terms energy: -92.432253
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -262.309153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.309153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.309153 (E_RNA)
where:
Base-Base interactions energy: -162.222
where: short stacking energy: -68.018
Base-Backbone interact. energy: -0.712
local terms energy: -99.375628
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -14.698
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: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -251.825235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.825235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.825235 (E_RNA)
where:
Base-Base interactions energy: -148.336
where: short stacking energy: -71.643
Base-Backbone interact. energy: -0.329
local terms energy: -103.160962
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -28.324
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -240.841671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.841671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.841671 (E_RNA)
where:
Base-Base interactions energy: -147.871
where: short stacking energy: -70.713
Base-Backbone interact. energy: -0.369
local terms energy: -92.602163
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -114.270418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.270418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.270418 (E_RNA)
where:
Base-Base interactions energy: -40.781
where: short stacking energy: -32.663
Base-Backbone interact. energy: -0.561
local terms energy: -72.928471
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -5.593
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: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -399.593403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.593403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.593403 (E_RNA)
where:
Base-Base interactions energy: -276.025
where: short stacking energy: -100.626
Base-Backbone interact. energy: -0.769
local terms energy: -122.798961
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -28.223
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -27.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -319.998574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.998574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.998574 (E_RNA)
where:
Base-Base interactions energy: -216.131
where: short stacking energy: -91.887
Base-Backbone interact. energy: -0.162
local terms energy: -103.705417
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -26.474
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -20.297
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: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -336.266660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.266660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.266660 (E_RNA)
where:
Base-Base interactions energy: -218.693
where: short stacking energy: -100.465
Base-Backbone interact. energy: -0.056
local terms energy: -117.518188
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -35.159
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: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -311.802015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.802015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.802015 (E_RNA)
where:
Base-Base interactions energy: -207.084
where: short stacking energy: -88.780
Base-Backbone interact. energy: 0.377
local terms energy: -105.094978
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -26.555
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: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -282.169231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.169231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.169231 (E_RNA)
where:
Base-Base interactions energy: -167.204
where: short stacking energy: -79.391
Base-Backbone interact. energy: -0.897
local terms energy: -114.067652
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: -21.619
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: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -273.078580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.078580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.078580 (E_RNA)
where:
Base-Base interactions energy: -174.528
where: short stacking energy: -83.404
Base-Backbone interact. energy: -0.203
local terms energy: -98.347160
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -16.791
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: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -251.281206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.281206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.281206 (E_RNA)
where:
Base-Base interactions energy: -154.965
where: short stacking energy: -76.511
Base-Backbone interact. energy: -0.088
local terms energy: -96.227897
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -12.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -245.763016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.763016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.763016 (E_RNA)
where:
Base-Base interactions energy: -149.805
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.187
local terms energy: -95.770207
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -241.929003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.929003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.929003 (E_RNA)
where:
Base-Base interactions energy: -142.721
where: short stacking energy: -67.470
Base-Backbone interact. energy: -1.853
local terms energy: -97.355197
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -17.529
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -110.477205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.477205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.477205 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -32.153
Base-Backbone interact. energy: 1.390
local terms energy: -73.034030
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -398.775020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.775020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.775020 (E_RNA)
where:
Base-Base interactions energy: -273.147
where: short stacking energy: -101.892
Base-Backbone interact. energy: -2.000
local terms energy: -123.627931
where:
bonds (distance) C4'-P energy: -26.152
bonds (distance) P-C4' energy: -27.908
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -22.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -319.171529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.171529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.171529 (E_RNA)
where:
Base-Base interactions energy: -213.689
where: short stacking energy: -102.487
Base-Backbone interact. energy: 0.074
local terms energy: -105.557088
where:
bonds (distance) C4'-P energy: -22.666
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -27.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -345.938196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.938196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.938196 (E_RNA)
where:
Base-Base interactions energy: -224.747
where: short stacking energy: -101.827
Base-Backbone interact. energy: -0.714
local terms energy: -120.477161
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -30.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -294.724194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.724194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.724194 (E_RNA)
where:
Base-Base interactions energy: -194.645
where: short stacking energy: -94.831
Base-Backbone interact. energy: -0.830
local terms energy: -99.248619
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -292.508918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.508918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.508918 (E_RNA)
where:
Base-Base interactions energy: -185.791
where: short stacking energy: -76.224
Base-Backbone interact. energy: -0.188
local terms energy: -106.529472
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -15.170
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: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -251.814447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.814447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.814447 (E_RNA)
where:
Base-Base interactions energy: -151.078
where: short stacking energy: -81.888
Base-Backbone interact. energy: -0.062
local terms energy: -100.674502
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -255.653744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.653744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.653744 (E_RNA)
where:
Base-Base interactions energy: -170.260
where: short stacking energy: -71.509
Base-Backbone interact. energy: -0.186
local terms energy: -85.207913
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -245.936087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.936087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.936087 (E_RNA)
where:
Base-Base interactions energy: -150.848
where: short stacking energy: -70.556
Base-Backbone interact. energy: -0.262
local terms energy: -94.826679
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -272.847450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.847450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.847450 (E_RNA)
where:
Base-Base interactions energy: -167.861
where: short stacking energy: -77.760
Base-Backbone interact. energy: -0.470
local terms energy: -104.517084
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -119.436664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.436664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.436664 (E_RNA)
where:
Base-Base interactions energy: -47.231
where: short stacking energy: -37.075
Base-Backbone interact. energy: -0.823
local terms energy: -71.382573
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -397.188657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.188657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.188657 (E_RNA)
where:
Base-Base interactions energy: -280.788
where: short stacking energy: -95.241
Base-Backbone interact. energy: -0.063
local terms energy: -116.337352
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -28.155
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -329.436045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.436045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.436045 (E_RNA)
where:
Base-Base interactions energy: -206.166
where: short stacking energy: -94.512
Base-Backbone interact. energy: -0.242
local terms energy: -123.027773
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -25.527
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: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -305.671720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.671720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.671720 (E_RNA)
where:
Base-Base interactions energy: -187.162
where: short stacking energy: -77.602
Base-Backbone interact. energy: -1.712
local terms energy: -116.797040
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -313.832192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.832192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.832192 (E_RNA)
where:
Base-Base interactions energy: -202.444
where: short stacking energy: -95.319
Base-Backbone interact. energy: -0.255
local terms energy: -111.133664
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -29.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -288.981569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.981569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.981569 (E_RNA)
where:
Base-Base interactions energy: -179.791
where: short stacking energy: -91.162
Base-Backbone interact. energy: -0.475
local terms energy: -108.716078
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -23.699
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: 380
Temperature: 1.150000
Total energy: -263.376708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.376708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.376708 (E_RNA)
where:
Base-Base interactions energy: -163.254
where: short stacking energy: -77.877
Base-Backbone interact. energy: -0.616
local terms energy: -99.506805
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -22.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -251.490744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.490744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.490744 (E_RNA)
where:
Base-Base interactions energy: -156.458
where: short stacking energy: -67.418
Base-Backbone interact. energy: -0.743
local terms energy: -94.290328
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -19.519
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: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -228.951012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.951012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.951012 (E_RNA)
where:
Base-Base interactions energy: -138.782
where: short stacking energy: -63.960
Base-Backbone interact. energy: -0.698
local terms energy: -89.470432
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -27.791
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -14.402
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: 380
Temperature: 1.300000
Total energy: -238.026513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.026513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.026513 (E_RNA)
where:
Base-Base interactions energy: -149.382
where: short stacking energy: -65.530
Base-Backbone interact. energy: -0.315
local terms energy: -88.328790
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -10.793
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: 10, replica: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -117.632407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.632407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.632407 (E_RNA)
where:
Base-Base interactions energy: -41.410
where: short stacking energy: -41.057
Base-Backbone interact. energy: 1.039
local terms energy: -77.262189
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -3.908
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: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -401.086333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.086333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.086333 (E_RNA)
where:
Base-Base interactions energy: -276.982
where: short stacking energy: -106.343
Base-Backbone interact. energy: -2.375
local terms energy: -121.729203
where:
bonds (distance) C4'-P energy: -25.184
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -322.897594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.897594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.897594 (E_RNA)
where:
Base-Base interactions energy: -200.103
where: short stacking energy: -104.165
Base-Backbone interact. energy: -0.136
local terms energy: -122.658614
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -31.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -319.311988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.311988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.311988 (E_RNA)
where:
Base-Base interactions energy: -200.556
where: short stacking energy: -91.567
Base-Backbone interact. energy: -0.167
local terms energy: -118.589412
where:
bonds (distance) C4'-P energy: -24.136
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -28.755
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -25.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -320.601449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.601449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.601449 (E_RNA)
where:
Base-Base interactions energy: -200.413
where: short stacking energy: -96.766
Base-Backbone interact. energy: -0.006
local terms energy: -120.182772
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -26.461
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -28.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -285.964835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.964835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.964835 (E_RNA)
where:
Base-Base interactions energy: -174.991
where: short stacking energy: -81.601
Base-Backbone interact. energy: -0.321
local terms energy: -110.653003
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -283.850236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.850236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.850236 (E_RNA)
where:
Base-Base interactions energy: -179.282
where: short stacking energy: -77.624
Base-Backbone interact. energy: -0.824
local terms energy: -103.744344
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -26.143
flat angles C4'-P-C4' energy: -26.776
flat angles P-C4'-P energy: -9.551
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: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -260.963100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.963100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.963100 (E_RNA)
where:
Base-Base interactions energy: -171.397
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.124
local terms energy: -89.442538
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -235.464381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.464381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.464381 (E_RNA)
where:
Base-Base interactions energy: -160.006
where: short stacking energy: -64.422
Base-Backbone interact. energy: -0.220
local terms energy: -75.238773
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -13.965
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: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -210.170103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.170103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.170103 (E_RNA)
where:
Base-Base interactions energy: -125.746
where: short stacking energy: -56.303
Base-Backbone interact. energy: 0.257
local terms energy: -84.680606
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -8.913
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: 4
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -120.779906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.779906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.779906 (E_RNA)
where:
Base-Base interactions energy: -42.937
where: short stacking energy: -37.597
Base-Backbone interact. energy: -0.138
local terms energy: -77.705381
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -402.660168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.660168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.660168 (E_RNA)
where:
Base-Base interactions energy: -286.690
where: short stacking energy: -116.300
Base-Backbone interact. energy: -3.114
local terms energy: -112.856877
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -30.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -326.960752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.960752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.960752 (E_RNA)
where:
Base-Base interactions energy: -208.498
where: short stacking energy: -100.038
Base-Backbone interact. energy: -0.879
local terms energy: -117.583436
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -23.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -325.046282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.046282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.046282 (E_RNA)
where:
Base-Base interactions energy: -207.491
where: short stacking energy: -103.488
Base-Backbone interact. energy: -0.050
local terms energy: -117.505008
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -31.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -308.813089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.813089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.813089 (E_RNA)
where:
Base-Base interactions energy: -201.952
where: short stacking energy: -87.585
Base-Backbone interact. energy: -0.185
local terms energy: -106.675697
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -26.556
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -282.564278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.564278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.564278 (E_RNA)
where:
Base-Base interactions energy: -171.949
where: short stacking energy: -92.511
Base-Backbone interact. energy: -0.044
local terms energy: -110.571063
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -26.892
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: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -260.572015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.572015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.572015 (E_RNA)
where:
Base-Base interactions energy: -161.380
where: short stacking energy: -72.974
Base-Backbone interact. energy: -0.070
local terms energy: -99.121500
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -261.583382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.583382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.583382 (E_RNA)
where:
Base-Base interactions energy: -157.902
where: short stacking energy: -70.973
Base-Backbone interact. energy: -0.301
local terms energy: -103.381001
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -24.367
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -236.407296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.407296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.407296 (E_RNA)
where:
Base-Base interactions energy: -158.576
where: short stacking energy: -60.516
Base-Backbone interact. energy: -1.777
local terms energy: -76.053841
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -22.677
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -213.165383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.165383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.165383 (E_RNA)
where:
Base-Base interactions energy: -133.021
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.079
local terms energy: -80.065070
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -127.568581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.568581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.568581 (E_RNA)
where:
Base-Base interactions energy: -43.679
where: short stacking energy: -22.739
Base-Backbone interact. energy: -0.044
local terms energy: -83.845529
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -11.098
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: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -399.182775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.182775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.182775 (E_RNA)
where:
Base-Base interactions energy: -284.538
where: short stacking energy: -109.232
Base-Backbone interact. energy: -0.606
local terms energy: -114.038746
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -22.803
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: 383
Temperature: 0.950000
Total energy: -326.156248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.156248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.156248 (E_RNA)
where:
Base-Base interactions energy: -203.857
where: short stacking energy: -100.474
Base-Backbone interact. energy: -1.686
local terms energy: -120.613115
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -27.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -303.980784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.980784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.980784 (E_RNA)
where:
Base-Base interactions energy: -193.248
where: short stacking energy: -85.529
Base-Backbone interact. energy: -0.193
local terms energy: -110.539276
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -24.764
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: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -285.955401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.955401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.955401 (E_RNA)
where:
Base-Base interactions energy: -179.657
where: short stacking energy: -82.721
Base-Backbone interact. energy: -0.866
local terms energy: -105.432744
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -290.676650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.676650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.676650 (E_RNA)
where:
Base-Base interactions energy: -186.353
where: short stacking energy: -87.476
Base-Backbone interact. energy: -0.246
local terms energy: -104.078010
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -265.096039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.096039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.096039 (E_RNA)
where:
Base-Base interactions energy: -166.224
where: short stacking energy: -73.959
Base-Backbone interact. energy: 0.282
local terms energy: -99.153933
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -13.217
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: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -257.893106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.893106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.893106 (E_RNA)
where:
Base-Base interactions energy: -176.478
where: short stacking energy: -78.150
Base-Backbone interact. energy: -0.242
local terms energy: -81.172669
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -221.661030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.661030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.661030 (E_RNA)
where:
Base-Base interactions energy: -133.651
where: short stacking energy: -64.053
Base-Backbone interact. energy: -0.634
local terms energy: -87.375336
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -245.068305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.068305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.068305 (E_RNA)
where:
Base-Base interactions energy: -140.190
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.185
local terms energy: -104.693297
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -18.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -110.742928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.742928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.742928 (E_RNA)
where:
Base-Base interactions energy: -41.578
where: short stacking energy: -20.958
Base-Backbone interact. energy: -2.601
local terms energy: -66.563799
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: 7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -406.357630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.357630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.357630 (E_RNA)
where:
Base-Base interactions energy: -279.166
where: short stacking energy: -111.615
Base-Backbone interact. energy: -3.338
local terms energy: -123.853203
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -27.010
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -30.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -336.243329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.243329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.243329 (E_RNA)
where:
Base-Base interactions energy: -203.855
where: short stacking energy: -106.347
Base-Backbone interact. energy: -0.058
local terms energy: -132.329727
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -36.550
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: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -290.192104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.192104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.192104 (E_RNA)
where:
Base-Base interactions energy: -193.962
where: short stacking energy: -95.515
Base-Backbone interact. energy: 0.237
local terms energy: -96.466706
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -21.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -305.090286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.090286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.090286 (E_RNA)
where:
Base-Base interactions energy: -182.664
where: short stacking energy: -88.489
Base-Backbone interact. energy: -0.877
local terms energy: -121.549836
where:
bonds (distance) C4'-P energy: -24.546
bonds (distance) P-C4' energy: -28.331
flat angles C4'-P-C4' energy: -25.237
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -25.415
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: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -307.447403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.447403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.447403 (E_RNA)
where:
Base-Base interactions energy: -196.597
where: short stacking energy: -94.118
Base-Backbone interact. energy: -0.797
local terms energy: -110.053563
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -28.582
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -258.454615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.454615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.454615 (E_RNA)
where:
Base-Base interactions energy: -159.756
where: short stacking energy: -83.507
Base-Backbone interact. energy: -0.898
local terms energy: -97.800131
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -250.886657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.886657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.886657 (E_RNA)
where:
Base-Base interactions energy: -154.414
where: short stacking energy: -64.658
Base-Backbone interact. energy: -0.263
local terms energy: -96.209272
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -246.963784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.963784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.963784 (E_RNA)
where:
Base-Base interactions energy: -155.825
where: short stacking energy: -55.762
Base-Backbone interact. energy: -0.342
local terms energy: -90.796152
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -22.029
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -238.517396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.517396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.517396 (E_RNA)
where:
Base-Base interactions energy: -142.919
where: short stacking energy: -64.131
Base-Backbone interact. energy: 0.665
local terms energy: -96.263622
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -13.114
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: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -115.893106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.893106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.893106 (E_RNA)
where:
Base-Base interactions energy: -32.252
where: short stacking energy: -16.755
Base-Backbone interact. energy: -2.091
local terms energy: -81.550092
where:
bonds (distance) C4'-P energy: -27.029
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: 6.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -416.080425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.080425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.080425 (E_RNA)
where:
Base-Base interactions energy: -286.682
where: short stacking energy: -104.049
Base-Backbone interact. energy: -1.979
local terms energy: -127.419582
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -29.344
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -29.127
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: 2, replica: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -318.868074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.868074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.868074 (E_RNA)
where:
Base-Base interactions energy: -199.232
where: short stacking energy: -95.631
Base-Backbone interact. energy: -0.752
local terms energy: -118.884961
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -27.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -313.311580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.311580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.311580 (E_RNA)
where:
Base-Base interactions energy: -209.730
where: short stacking energy: -90.364
Base-Backbone interact. energy: 0.746
local terms energy: -104.328002
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -26.033
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -22.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -306.606928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.606928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.606928 (E_RNA)
where:
Base-Base interactions energy: -197.556
where: short stacking energy: -92.421
Base-Backbone interact. energy: -0.902
local terms energy: -108.149571
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -27.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -297.853371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.853371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.853371 (E_RNA)
where:
Base-Base interactions energy: -183.830
where: short stacking energy: -96.012
Base-Backbone interact. energy: -0.159
local terms energy: -113.864276
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -26.914
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -262.100037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.100037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.100037 (E_RNA)
where:
Base-Base interactions energy: -165.285
where: short stacking energy: -72.214
Base-Backbone interact. energy: 0.199
local terms energy: -97.014758
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -27.685
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -13.204
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: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -252.286104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.286104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.286104 (E_RNA)
where:
Base-Base interactions energy: -157.778
where: short stacking energy: -55.815
Base-Backbone interact. energy: -0.047
local terms energy: -94.461011
where:
bonds (distance) C4'-P energy: -22.046
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -243.738387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.738387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.738387 (E_RNA)
where:
Base-Base interactions energy: -152.186
where: short stacking energy: -72.006
Base-Backbone interact. energy: -1.083
local terms energy: -90.469385
where:
bonds (distance) C4'-P energy: -25.614
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -12.521
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: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -204.280432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.280432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.280432 (E_RNA)
where:
Base-Base interactions energy: -121.374
where: short stacking energy: -55.904
Base-Backbone interact. energy: -0.149
local terms energy: -82.757501
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -5.259
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: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -110.195580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.195580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.195580 (E_RNA)
where:
Base-Base interactions energy: -42.233
where: short stacking energy: -40.316
Base-Backbone interact. energy: -0.262
local terms energy: -67.701442
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -5.631
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -10.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -406.394323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.394323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.394323 (E_RNA)
where:
Base-Base interactions energy: -277.552
where: short stacking energy: -112.013
Base-Backbone interact. energy: -0.612
local terms energy: -128.230212
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: -31.315
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: 386
Temperature: 0.950000
Total energy: -328.025876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.025876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.025876 (E_RNA)
where:
Base-Base interactions energy: -220.745
where: short stacking energy: -107.915
Base-Backbone interact. energy: -0.005
local terms energy: -107.275350
where:
bonds (distance) C4'-P energy: -24.674
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -24.104
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: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -316.032002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.032002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.032002 (E_RNA)
where:
Base-Base interactions energy: -199.437
where: short stacking energy: -106.325
Base-Backbone interact. energy: 0.138
local terms energy: -116.733818
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -26.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -313.118989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.118989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.118989 (E_RNA)
where:
Base-Base interactions energy: -199.596
where: short stacking energy: -84.765
Base-Backbone interact. energy: -1.218
local terms energy: -112.305189
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -29.304
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -275.170600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.170600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.170600 (E_RNA)
where:
Base-Base interactions energy: -168.076
where: short stacking energy: -78.788
Base-Backbone interact. energy: -0.083
local terms energy: -107.010881
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -270.014878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.014878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.014878 (E_RNA)
where:
Base-Base interactions energy: -175.677
where: short stacking energy: -68.116
Base-Backbone interact. energy: -0.309
local terms energy: -94.029107
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -243.122607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.122607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.122607 (E_RNA)
where:
Base-Base interactions energy: -146.184
where: short stacking energy: -63.430
Base-Backbone interact. energy: -0.109
local terms energy: -96.829710
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -217.974075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.974075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.974075 (E_RNA)
where:
Base-Base interactions energy: -139.695
where: short stacking energy: -56.640
Base-Backbone interact. energy: 4.033
local terms energy: -82.312198
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -25.782
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -5.114
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: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -228.043082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.043082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.043082 (E_RNA)
where:
Base-Base interactions energy: -140.922
where: short stacking energy: -68.087
Base-Backbone interact. energy: 0.416
local terms energy: -87.537109
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -111.706288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.706288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.706288 (E_RNA)
where:
Base-Base interactions energy: -37.227
where: short stacking energy: -37.227
Base-Backbone interact. energy: -0.066
local terms energy: -74.413212
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: 4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -396.362976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.362976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.362976 (E_RNA)
where:
Base-Base interactions energy: -275.617
where: short stacking energy: -111.415
Base-Backbone interact. energy: 3.768
local terms energy: -124.514305
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -31.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -332.977067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.977067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.977067 (E_RNA)
where:
Base-Base interactions energy: -223.614
where: short stacking energy: -103.058
Base-Backbone interact. energy: -0.383
local terms energy: -108.979849
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -25.166
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -25.084
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: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -327.574355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.574355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.574355 (E_RNA)
where:
Base-Base interactions energy: -219.326
where: short stacking energy: -99.649
Base-Backbone interact. energy: -0.651
local terms energy: -107.597474
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -29.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -301.876275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.876275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.876275 (E_RNA)
where:
Base-Base interactions energy: -186.270
where: short stacking energy: -95.107
Base-Backbone interact. energy: -0.257
local terms energy: -115.349363
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -26.620
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -265.447726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.447726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.447726 (E_RNA)
where:
Base-Base interactions energy: -161.334
where: short stacking energy: -79.584
Base-Backbone interact. energy: -0.140
local terms energy: -103.973964
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -25.522
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -21.416
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: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -278.148667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.148667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.148667 (E_RNA)
where:
Base-Base interactions energy: -176.735
where: short stacking energy: -86.146
Base-Backbone interact. energy: -0.431
local terms energy: -100.982108
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -12.023
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: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -253.688824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.688824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.688824 (E_RNA)
where:
Base-Base interactions energy: -157.266
where: short stacking energy: -78.743
Base-Backbone interact. energy: -1.069
local terms energy: -95.354481
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -15.628
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: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -259.728555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.728555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.728555 (E_RNA)
where:
Base-Base interactions energy: -159.560
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.715
local terms energy: -99.453937
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -218.388466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.388466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.388466 (E_RNA)
where:
Base-Base interactions energy: -137.912
where: short stacking energy: -58.287
Base-Backbone interact. energy: -0.427
local terms energy: -80.050030
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -117.352908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.352908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.352908 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -40.627
Base-Backbone interact. energy: -0.698
local terms energy: -75.997686
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -28.062
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -411.182983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.182983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.182983 (E_RNA)
where:
Base-Base interactions energy: -282.741
where: short stacking energy: -114.614
Base-Backbone interact. energy: 1.664
local terms energy: -130.106033
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -31.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -327.412967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.412967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.412967 (E_RNA)
where:
Base-Base interactions energy: -208.007
where: short stacking energy: -94.343
Base-Backbone interact. energy: -1.249
local terms energy: -118.156034
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -29.168
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: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -326.729358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.729358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.729358 (E_RNA)
where:
Base-Base interactions energy: -205.105
where: short stacking energy: -103.559
Base-Backbone interact. energy: 0.358
local terms energy: -121.982186
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -23.013
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -35.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -311.571413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.571413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.571413 (E_RNA)
where:
Base-Base interactions energy: -207.685
where: short stacking energy: -92.575
Base-Backbone interact. energy: -0.368
local terms energy: -103.518235
where:
bonds (distance) C4'-P energy: -8.738
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -27.190
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: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -286.948921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.948921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.948921 (E_RNA)
where:
Base-Base interactions energy: -172.505
where: short stacking energy: -74.619
Base-Backbone interact. energy: 0.216
local terms energy: -114.659433
where:
bonds (distance) C4'-P energy: -28.632
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -18.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -267.669789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.669789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.669789 (E_RNA)
where:
Base-Base interactions energy: -167.666
where: short stacking energy: -74.269
Base-Backbone interact. energy: -0.240
local terms energy: -99.763636
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -14.668
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: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -251.853811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.853811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.853811 (E_RNA)
where:
Base-Base interactions energy: -153.421
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.089
local terms energy: -98.344357
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -250.112504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.112504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.112504 (E_RNA)
where:
Base-Base interactions energy: -170.259
where: short stacking energy: -57.734
Base-Backbone interact. energy: -1.084
local terms energy: -78.769271
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -7.615
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: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -231.970192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.970192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.970192 (E_RNA)
where:
Base-Base interactions energy: -155.158
where: short stacking energy: -66.760
Base-Backbone interact. energy: -1.330
local terms energy: -75.482241
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -16.778
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: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -108.636780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.636780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.636780 (E_RNA)
where:
Base-Base interactions energy: -44.746
where: short stacking energy: -39.956
Base-Backbone interact. energy: 1.107
local terms energy: -64.997792
where:
bonds (distance) C4'-P energy: -24.442
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -408.880207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.880207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.880207 (E_RNA)
where:
Base-Base interactions energy: -287.634
where: short stacking energy: -116.090
Base-Backbone interact. energy: -0.982
local terms energy: -120.264356
where:
bonds (distance) C4'-P energy: -24.719
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -29.551
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: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -332.402112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.402112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.402112 (E_RNA)
where:
Base-Base interactions energy: -207.562
where: short stacking energy: -103.661
Base-Backbone interact. energy: -0.062
local terms energy: -124.778635
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -27.868
flat angles C4'-P-C4' energy: -28.435
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -28.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -314.723816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.723816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.723816 (E_RNA)
where:
Base-Base interactions energy: -198.530
where: short stacking energy: -95.287
Base-Backbone interact. energy: -1.007
local terms energy: -115.187037
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -24.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -288.290118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.290118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.290118 (E_RNA)
where:
Base-Base interactions energy: -178.903
where: short stacking energy: -75.800
Base-Backbone interact. energy: 0.876
local terms energy: -110.262752
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -24.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -272.042595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.042595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.042595 (E_RNA)
where:
Base-Base interactions energy: -172.222
where: short stacking energy: -65.690
Base-Backbone interact. energy: -1.013
local terms energy: -98.807564
where:
bonds (distance) C4'-P energy: -24.737
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -285.593793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.593793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.593793 (E_RNA)
where:
Base-Base interactions energy: -173.839
where: short stacking energy: -92.174
Base-Backbone interact. energy: 4.058
local terms energy: -115.813437
where:
bonds (distance) C4'-P energy: -25.549
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -26.585
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: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -268.098383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.098383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.098383 (E_RNA)
where:
Base-Base interactions energy: -184.364
where: short stacking energy: -73.119
Base-Backbone interact. energy: -1.271
local terms energy: -82.463218
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -256.024215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.024215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.024215 (E_RNA)
where:
Base-Base interactions energy: -159.534
where: short stacking energy: -73.076
Base-Backbone interact. energy: -0.177
local terms energy: -96.312806
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -180.910092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.910092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.910092 (E_RNA)
where:
Base-Base interactions energy: -100.552
where: short stacking energy: -47.670
Base-Backbone interact. energy: -0.190
local terms energy: -80.167572
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -109.253351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.253351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.253351 (E_RNA)
where:
Base-Base interactions energy: -36.118
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.830
local terms energy: -72.305106
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: 2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -410.970047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.970047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.970047 (E_RNA)
where:
Base-Base interactions energy: -281.040
where: short stacking energy: -109.516
Base-Backbone interact. energy: -1.919
local terms energy: -128.011116
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -29.378
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: -28.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -330.926417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.926417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.926417 (E_RNA)
where:
Base-Base interactions energy: -204.175
where: short stacking energy: -102.416
Base-Backbone interact. energy: -0.033
local terms energy: -126.718397
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -23.478
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -31.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -313.119834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.119834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.119834 (E_RNA)
where:
Base-Base interactions energy: -200.756
where: short stacking energy: -110.699
Base-Backbone interact. energy: -2.503
local terms energy: -109.860891
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -28.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -255.115972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.115972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.115972 (E_RNA)
where:
Base-Base interactions energy: -153.171
where: short stacking energy: -74.433
Base-Backbone interact. energy: -0.149
local terms energy: -101.796451
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -27.068
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -301.037595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.037595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.037595 (E_RNA)
where:
Base-Base interactions energy: -182.387
where: short stacking energy: -90.483
Base-Backbone interact. energy: -0.150
local terms energy: -118.500382
where:
bonds (distance) C4'-P energy: -22.836
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -28.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -302.317741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.317741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.317741 (E_RNA)
where:
Base-Base interactions energy: -195.961
where: short stacking energy: -96.650
Base-Backbone interact. energy: 2.952
local terms energy: -109.308698
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -31.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -249.844153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.844153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.844153 (E_RNA)
where:
Base-Base interactions energy: -154.663
where: short stacking energy: -79.172
Base-Backbone interact. energy: -0.984
local terms energy: -94.196469
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -23.915
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -16.409
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: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -228.413736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.413736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.413736 (E_RNA)
where:
Base-Base interactions energy: -132.051
where: short stacking energy: -58.476
Base-Backbone interact. energy: 0.752
local terms energy: -97.114814
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -205.671743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.671743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.671743 (E_RNA)
where:
Base-Base interactions energy: -120.869
where: short stacking energy: -61.043
Base-Backbone interact. energy: -0.032
local terms energy: -84.771234
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -10.130
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: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -112.808070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.808070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.808070 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -19.947
Base-Backbone interact. energy: -0.499
local terms energy: -79.638270
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -25.190
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -404.534633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.534633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.534633 (E_RNA)
where:
Base-Base interactions energy: -289.741
where: short stacking energy: -109.085
Base-Backbone interact. energy: -1.927
local terms energy: -112.866723
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -25.734
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: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -329.543579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.543579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.543579 (E_RNA)
where:
Base-Base interactions energy: -201.000
where: short stacking energy: -99.248
Base-Backbone interact. energy: -0.049
local terms energy: -128.494564
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -26.838
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -31.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -307.458256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.458256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.458256 (E_RNA)
where:
Base-Base interactions energy: -186.732
where: short stacking energy: -105.232
Base-Backbone interact. energy: -0.094
local terms energy: -120.632542
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: -22.553
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: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -295.071395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.071395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.071395 (E_RNA)
where:
Base-Base interactions energy: -189.212
where: short stacking energy: -85.925
Base-Backbone interact. energy: -0.046
local terms energy: -105.813398
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -292.597854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.597854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.597854 (E_RNA)
where:
Base-Base interactions energy: -192.569
where: short stacking energy: -90.829
Base-Backbone interact. energy: 4.453
local terms energy: -104.481982
where:
bonds (distance) C4'-P energy: -23.671
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -274.773476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.773476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.773476 (E_RNA)
where:
Base-Base interactions energy: -173.147
where: short stacking energy: -68.021
Base-Backbone interact. energy: -1.457
local terms energy: -100.169508
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -16.342
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: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -273.370575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.370575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.370575 (E_RNA)
where:
Base-Base interactions energy: -167.339
where: short stacking energy: -88.381
Base-Backbone interact. energy: 0.516
local terms energy: -106.547841
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -26.092
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -25.414
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: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -222.514694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.514694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.514694 (E_RNA)
where:
Base-Base interactions energy: -131.664
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.685
local terms energy: -90.165595
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -175.662399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.662399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.662399 (E_RNA)
where:
Base-Base interactions energy: -95.949
where: short stacking energy: -53.454
Base-Backbone interact. energy: -0.215
local terms energy: -79.498246
where:
bonds (distance) C4'-P energy: -25.056
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -108.126196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.126196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.126196 (E_RNA)
where:
Base-Base interactions energy: -34.918
where: short stacking energy: -32.609
Base-Backbone interact. energy: -0.239
local terms energy: -72.968977
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -5.613
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: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -421.094148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.094148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.094148 (E_RNA)
where:
Base-Base interactions energy: -290.871
where: short stacking energy: -115.723
Base-Backbone interact. energy: -0.429
local terms energy: -129.793688
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -27.167
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -32.106
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: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -334.824151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.824151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.824151 (E_RNA)
where:
Base-Base interactions energy: -209.296
where: short stacking energy: -103.880
Base-Backbone interact. energy: -0.557
local terms energy: -124.970903
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -25.781
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -29.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -309.244462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.244462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.244462 (E_RNA)
where:
Base-Base interactions energy: -191.567
where: short stacking energy: -95.111
Base-Backbone interact. energy: -0.005
local terms energy: -117.672299
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -29.920
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: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -320.254585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.254585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.254585 (E_RNA)
where:
Base-Base interactions energy: -202.553
where: short stacking energy: -104.945
Base-Backbone interact. energy: -0.001
local terms energy: -117.701427
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -25.788
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -30.521
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: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -285.423796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.423796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.423796 (E_RNA)
where:
Base-Base interactions energy: -198.586
where: short stacking energy: -74.710
Base-Backbone interact. energy: 0.765
local terms energy: -87.603342
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -18.247
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: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -289.573117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.573117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.573117 (E_RNA)
where:
Base-Base interactions energy: -182.367
where: short stacking energy: -86.244
Base-Backbone interact. energy: -0.526
local terms energy: -106.680291
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -19.922
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: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -241.248983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.248983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.248983 (E_RNA)
where:
Base-Base interactions energy: -151.877
where: short stacking energy: -60.237
Base-Backbone interact. energy: -0.299
local terms energy: -89.073544
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -243.306276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.306276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.306276 (E_RNA)
where:
Base-Base interactions energy: -163.943
where: short stacking energy: -73.940
Base-Backbone interact. energy: 1.896
local terms energy: -81.258996
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -14.996
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: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -130.583884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.583884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.583884 (E_RNA)
where:
Base-Base interactions energy: -49.885
where: short stacking energy: -27.287
Base-Backbone interact. energy: -0.440
local terms energy: -80.258939
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -24.079
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: 0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -158.634752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.634752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.634752 (E_RNA)
where:
Base-Base interactions energy: -84.342
where: short stacking energy: -43.163
Base-Backbone interact. energy: -0.408
local terms energy: -73.884651
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -28.680
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: 1.740
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: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -415.768549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.768549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.768549 (E_RNA)
where:
Base-Base interactions energy: -301.178
where: short stacking energy: -107.325
Base-Backbone interact. energy: -1.837
local terms energy: -112.752999
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -30.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -334.500143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.500143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.500143 (E_RNA)
where:
Base-Base interactions energy: -206.862
where: short stacking energy: -97.078
Base-Backbone interact. energy: -0.004
local terms energy: -127.634236
where:
bonds (distance) C4'-P energy: -26.428
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -33.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -313.675872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.675872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.675872 (E_RNA)
where:
Base-Base interactions energy: -194.387
where: short stacking energy: -90.049
Base-Backbone interact. energy: -0.214
local terms energy: -119.075271
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -26.036
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -26.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -308.721018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.721018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.721018 (E_RNA)
where:
Base-Base interactions energy: -194.841
where: short stacking energy: -82.078
Base-Backbone interact. energy: -0.834
local terms energy: -113.045855
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -296.542102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.542102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.542102 (E_RNA)
where:
Base-Base interactions energy: -200.302
where: short stacking energy: -81.305
Base-Backbone interact. energy: -0.867
local terms energy: -95.372674
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -278.618980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.618980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.618980 (E_RNA)
where:
Base-Base interactions energy: -177.654
where: short stacking energy: -72.273
Base-Backbone interact. energy: -0.054
local terms energy: -100.911874
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -268.526917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.526917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.526917 (E_RNA)
where:
Base-Base interactions energy: -175.254
where: short stacking energy: -84.575
Base-Backbone interact. energy: 2.156
local terms energy: -95.429585
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -28.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -240.361204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.361204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.361204 (E_RNA)
where:
Base-Base interactions energy: -153.720
where: short stacking energy: -67.741
Base-Backbone interact. energy: -2.024
local terms energy: -84.617647
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -126.087210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.087210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.087210 (E_RNA)
where:
Base-Base interactions energy: -41.518
where: short stacking energy: -41.518
Base-Backbone interact. energy: -0.188
local terms energy: -84.381726
where:
bonds (distance) C4'-P energy: -23.350
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -109.787991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.787991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.787991 (E_RNA)
where:
Base-Base interactions energy: -34.331
where: short stacking energy: -30.277
Base-Backbone interact. energy: -0.398
local terms energy: -75.058708
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -22.854
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -416.840937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.840937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.840937 (E_RNA)
where:
Base-Base interactions energy: -295.828
where: short stacking energy: -106.753
Base-Backbone interact. energy: -2.930
local terms energy: -118.083081
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -339.723424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.723424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.723424 (E_RNA)
where:
Base-Base interactions energy: -211.392
where: short stacking energy: -108.878
Base-Backbone interact. energy: -0.268
local terms energy: -128.064190
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -32.657
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: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -309.424476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.424476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.424476 (E_RNA)
where:
Base-Base interactions energy: -198.358
where: short stacking energy: -95.373
Base-Backbone interact. energy: -0.138
local terms energy: -110.928271
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -22.021
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: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -315.149163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.149163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.149163 (E_RNA)
where:
Base-Base interactions energy: -205.362
where: short stacking energy: -102.529
Base-Backbone interact. energy: -0.032
local terms energy: -109.755713
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -34.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -295.073378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.073378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.073378 (E_RNA)
where:
Base-Base interactions energy: -188.567
where: short stacking energy: -88.984
Base-Backbone interact. energy: -0.257
local terms energy: -106.249607
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -18.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -287.632763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.632763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.632763 (E_RNA)
where:
Base-Base interactions energy: -184.812
where: short stacking energy: -82.726
Base-Backbone interact. energy: -1.313
local terms energy: -101.507836
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -26.273
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -18.622
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: 394
Temperature: 1.200000
Total energy: -237.221597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.221597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.221597 (E_RNA)
where:
Base-Base interactions energy: -141.034
where: short stacking energy: -56.608
Base-Backbone interact. energy: -0.678
local terms energy: -95.509860
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -16.941
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: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -252.383232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.383232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.383232 (E_RNA)
where:
Base-Base interactions energy: -151.446
where: short stacking energy: -68.299
Base-Backbone interact. energy: -0.366
local terms energy: -100.571074
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -110.903528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.903528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.903528 (E_RNA)
where:
Base-Base interactions energy: -37.128
where: short stacking energy: -34.164
Base-Backbone interact. energy: -1.116
local terms energy: -72.659807
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -29.376
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -6.092
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: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -120.266878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.266878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.266878 (E_RNA)
where:
Base-Base interactions energy: -58.219
where: short stacking energy: -54.326
Base-Backbone interact. energy: 2.849
local terms energy: -64.896698
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -6.915
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: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -410.463004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.463004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.463004 (E_RNA)
where:
Base-Base interactions energy: -287.345
where: short stacking energy: -103.590
Base-Backbone interact. energy: -1.890
local terms energy: -121.227280
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -32.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -340.458100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.458100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.458100 (E_RNA)
where:
Base-Base interactions energy: -216.543
where: short stacking energy: -107.954
Base-Backbone interact. energy: -0.160
local terms energy: -123.755240
where:
bonds (distance) C4'-P energy: -25.995
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -28.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -319.815930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.815930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.815930 (E_RNA)
where:
Base-Base interactions energy: -208.811
where: short stacking energy: -91.665
Base-Backbone interact. energy: -0.197
local terms energy: -110.807597
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -17.673
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: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -322.864040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.864040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.864040 (E_RNA)
where:
Base-Base interactions energy: -192.980
where: short stacking energy: -85.195
Base-Backbone interact. energy: -0.326
local terms energy: -129.557904
where:
bonds (distance) C4'-P energy: -25.618
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -19.508
tors. eta vs tors. theta energy: -33.012
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: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -297.851123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.851123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.851123 (E_RNA)
where:
Base-Base interactions energy: -190.325
where: short stacking energy: -87.536
Base-Backbone interact. energy: -0.573
local terms energy: -106.953148
where:
bonds (distance) C4'-P energy: -22.841
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -21.590
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: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -286.148071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.148071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.148071 (E_RNA)
where:
Base-Base interactions energy: -190.313
where: short stacking energy: -76.774
Base-Backbone interact. energy: -0.360
local terms energy: -95.475103
where:
bonds (distance) C4'-P energy: -27.509
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -11.350
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: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -271.769555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.769555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.769555 (E_RNA)
where:
Base-Base interactions energy: -172.446
where: short stacking energy: -77.389
Base-Backbone interact. energy: -0.436
local terms energy: -98.887972
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -28.956
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -241.763083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.763083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.763083 (E_RNA)
where:
Base-Base interactions energy: -143.908
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.210
local terms energy: -97.645011
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -116.268938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.268938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.268938 (E_RNA)
where:
Base-Base interactions energy: -40.632
where: short stacking energy: -39.619
Base-Backbone interact. energy: 2.994
local terms energy: -78.631185
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -103.261771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.261771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.261771 (E_RNA)
where:
Base-Base interactions energy: -30.552
where: short stacking energy: -30.552
Base-Backbone interact. energy: 3.535
local terms energy: -76.245219
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: 0.162
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: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -406.559364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.559364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.559364 (E_RNA)
where:
Base-Base interactions energy: -282.903
where: short stacking energy: -112.903
Base-Backbone interact. energy: -2.342
local terms energy: -121.313740
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -33.049
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: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -350.377978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.377978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.377978 (E_RNA)
where:
Base-Base interactions energy: -222.149
where: short stacking energy: -101.631
Base-Backbone interact. energy: 0.453
local terms energy: -128.682683
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -31.911
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: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -333.491443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.491443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.491443 (E_RNA)
where:
Base-Base interactions energy: -216.826
where: short stacking energy: -100.696
Base-Backbone interact. energy: -0.995
local terms energy: -115.671075
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -26.688
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: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -286.458128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.458128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.458128 (E_RNA)
where:
Base-Base interactions energy: -174.342
where: short stacking energy: -97.666
Base-Backbone interact. energy: -0.023
local terms energy: -112.093144
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -28.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -293.286659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.286659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.286659 (E_RNA)
where:
Base-Base interactions energy: -191.517
where: short stacking energy: -97.799
Base-Backbone interact. energy: -0.600
local terms energy: -101.170198
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -29.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -252.176182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.176182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.176182 (E_RNA)
where:
Base-Base interactions energy: -162.595
where: short stacking energy: -70.442
Base-Backbone interact. energy: -0.748
local terms energy: -88.833190
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -257.677735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.677735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.677735 (E_RNA)
where:
Base-Base interactions energy: -154.676
where: short stacking energy: -72.269
Base-Backbone interact. energy: -0.999
local terms energy: -102.003198
where:
bonds (distance) C4'-P energy: -26.618
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -12.372
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: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -234.200746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.200746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.200746 (E_RNA)
where:
Base-Base interactions energy: -145.808
where: short stacking energy: -70.813
Base-Backbone interact. energy: -0.998
local terms energy: -87.394878
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -28.443
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -14.638
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: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -119.810886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.810886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.810886 (E_RNA)
where:
Base-Base interactions energy: -45.740
where: short stacking energy: -34.387
Base-Backbone interact. energy: -0.455
local terms energy: -73.616067
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -114.318413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.318413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.318413 (E_RNA)
where:
Base-Base interactions energy: -45.222
where: short stacking energy: -35.443
Base-Backbone interact. energy: -0.584
local terms energy: -68.512262
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -11.558
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: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -409.252822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.252822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.252822 (E_RNA)
where:
Base-Base interactions energy: -286.187
where: short stacking energy: -105.803
Base-Backbone interact. energy: -3.760
local terms energy: -119.306315
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -28.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -345.421369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.421369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.421369 (E_RNA)
where:
Base-Base interactions energy: -214.731
where: short stacking energy: -103.721
Base-Backbone interact. energy: -0.112
local terms energy: -130.577895
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -310.606195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.606195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.606195 (E_RNA)
where:
Base-Base interactions energy: -205.275
where: short stacking energy: -78.909
Base-Backbone interact. energy: -0.919
local terms energy: -104.411861
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -284.020132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.020132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.020132 (E_RNA)
where:
Base-Base interactions energy: -189.130
where: short stacking energy: -69.246
Base-Backbone interact. energy: -1.267
local terms energy: -93.623265
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -22.590
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -15.963
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: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -267.125545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.125545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.125545 (E_RNA)
where:
Base-Base interactions energy: -157.930
where: short stacking energy: -73.039
Base-Backbone interact. energy: -0.112
local terms energy: -109.083377
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -29.107
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -273.878604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.878604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.878604 (E_RNA)
where:
Base-Base interactions energy: -176.046
where: short stacking energy: -82.607
Base-Backbone interact. energy: 0.087
local terms energy: -97.920211
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -262.806741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.806741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.806741 (E_RNA)
where:
Base-Base interactions energy: -168.499
where: short stacking energy: -79.806
Base-Backbone interact. energy: -0.922
local terms energy: -93.385646
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -15.361
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: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -239.296988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.296988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.296988 (E_RNA)
where:
Base-Base interactions energy: -137.476
where: short stacking energy: -58.637
Base-Backbone interact. energy: 1.534
local terms energy: -103.354577
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -120.839433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.839433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.839433 (E_RNA)
where:
Base-Base interactions energy: -43.495
where: short stacking energy: -37.391
Base-Backbone interact. energy: 0.183
local terms energy: -77.528127
where:
bonds (distance) C4'-P energy: -28.703
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: 3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -106.974205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.974205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.974205 (E_RNA)
where:
Base-Base interactions energy: -39.816
where: short stacking energy: -28.031
Base-Backbone interact. energy: 1.921
local terms energy: -69.079344
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: 2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -401.518864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.518864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.518864 (E_RNA)
where:
Base-Base interactions energy: -282.092
where: short stacking energy: -105.207
Base-Backbone interact. energy: -2.967
local terms energy: -116.460383
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -25.540
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -28.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -343.013350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.013350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.013350 (E_RNA)
where:
Base-Base interactions energy: -221.329
where: short stacking energy: -96.858
Base-Backbone interact. energy: -1.276
local terms energy: -120.407548
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -28.526
flat angles C4'-P-C4' energy: -26.630
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -30.512
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: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -321.844241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.844241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.844241 (E_RNA)
where:
Base-Base interactions energy: -201.200
where: short stacking energy: -91.526
Base-Backbone interact. energy: -0.176
local terms energy: -120.467922
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -27.841
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -28.942
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: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -318.435930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.435930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.435930 (E_RNA)
where:
Base-Base interactions energy: -202.874
where: short stacking energy: -88.521
Base-Backbone interact. energy: -1.884
local terms energy: -113.678132
where:
bonds (distance) C4'-P energy: -25.001
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -261.679679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.679679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.679679 (E_RNA)
where:
Base-Base interactions energy: -166.765
where: short stacking energy: -70.897
Base-Backbone interact. energy: 2.678
local terms energy: -97.592234
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -260.558291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.558291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.558291 (E_RNA)
where:
Base-Base interactions energy: -181.998
where: short stacking energy: -76.177
Base-Backbone interact. energy: -0.202
local terms energy: -78.358106
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -256.235480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.235480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.235480 (E_RNA)
where:
Base-Base interactions energy: -157.273
where: short stacking energy: -73.407
Base-Backbone interact. energy: -0.331
local terms energy: -98.631636
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -247.577867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.577867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.577867 (E_RNA)
where:
Base-Base interactions energy: -152.678
where: short stacking energy: -69.712
Base-Backbone interact. energy: -0.113
local terms energy: -94.786401
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -120.724782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.724782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.724782 (E_RNA)
where:
Base-Base interactions energy: -47.619
where: short stacking energy: -29.507
Base-Backbone interact. energy: -0.186
local terms energy: -72.919703
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -118.696359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.696359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.696359 (E_RNA)
where:
Base-Base interactions energy: -53.393
where: short stacking energy: -49.226
Base-Backbone interact. energy: -0.174
local terms energy: -65.129379
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -406.003715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.003715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.003715 (E_RNA)
where:
Base-Base interactions energy: -283.475
where: short stacking energy: -107.725
Base-Backbone interact. energy: -1.428
local terms energy: -121.100260
where:
bonds (distance) C4'-P energy: -25.908
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -28.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -336.671841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.671841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.671841 (E_RNA)
where:
Base-Base interactions energy: -212.499
where: short stacking energy: -114.547
Base-Backbone interact. energy: -0.572
local terms energy: -123.601051
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -336.445318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.445318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.445318 (E_RNA)
where:
Base-Base interactions energy: -229.750
where: short stacking energy: -105.537
Base-Backbone interact. energy: -0.381
local terms energy: -106.314678
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -27.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -307.236088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.236088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.236088 (E_RNA)
where:
Base-Base interactions energy: -195.349
where: short stacking energy: -98.163
Base-Backbone interact. energy: -0.048
local terms energy: -111.839254
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -25.529
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -23.633
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: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -274.579698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.579698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.579698 (E_RNA)
where:
Base-Base interactions energy: -179.336
where: short stacking energy: -77.526
Base-Backbone interact. energy: -0.685
local terms energy: -94.559433
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -249.504708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.504708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.504708 (E_RNA)
where:
Base-Base interactions energy: -152.392
where: short stacking energy: -77.257
Base-Backbone interact. energy: 0.168
local terms energy: -97.280706
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -28.323
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -263.233870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.233870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.233870 (E_RNA)
where:
Base-Base interactions energy: -170.071
where: short stacking energy: -79.074
Base-Backbone interact. energy: -0.785
local terms energy: -92.378029
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -255.556390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.556390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.556390 (E_RNA)
where:
Base-Base interactions energy: -162.067
where: short stacking energy: -71.500
Base-Backbone interact. energy: -0.812
local terms energy: -92.676824
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -26.248
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -16.252
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: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -124.499116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.499116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.499116 (E_RNA)
where:
Base-Base interactions energy: -41.371
where: short stacking energy: -34.425
Base-Backbone interact. energy: -1.189
local terms energy: -81.938964
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -7.137
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: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -121.592632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.592632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.592632 (E_RNA)
where:
Base-Base interactions energy: -46.717
where: short stacking energy: -29.994
Base-Backbone interact. energy: -0.311
local terms energy: -74.564833
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -416.487369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.487369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.487369 (E_RNA)
where:
Base-Base interactions energy: -292.757
where: short stacking energy: -108.320
Base-Backbone interact. energy: -0.562
local terms energy: -123.168425
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -323.609093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.609093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.609093 (E_RNA)
where:
Base-Base interactions energy: -210.143
where: short stacking energy: -109.274
Base-Backbone interact. energy: -0.211
local terms energy: -113.254769
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -27.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -347.434755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.434755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.434755 (E_RNA)
where:
Base-Base interactions energy: -225.152
where: short stacking energy: -101.591
Base-Backbone interact. energy: -0.329
local terms energy: -121.953661
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: -30.060
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: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -307.825173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.825173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.825173 (E_RNA)
where:
Base-Base interactions energy: -190.257
where: short stacking energy: -88.728
Base-Backbone interact. energy: -0.140
local terms energy: -117.428652
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -26.617
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -282.413897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.413897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.413897 (E_RNA)
where:
Base-Base interactions energy: -179.343
where: short stacking energy: -76.834
Base-Backbone interact. energy: 0.553
local terms energy: -103.623954
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -263.194777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.194777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.194777 (E_RNA)
where:
Base-Base interactions energy: -162.524
where: short stacking energy: -92.060
Base-Backbone interact. energy: -0.304
local terms energy: -100.366146
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -252.310796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.310796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.310796 (E_RNA)
where:
Base-Base interactions energy: -149.368
where: short stacking energy: -66.702
Base-Backbone interact. energy: -0.658
local terms energy: -102.284060
where:
bonds (distance) C4'-P energy: -21.955
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: -18.684
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: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -249.809261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.809261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.809261 (E_RNA)
where:
Base-Base interactions energy: -165.449
where: short stacking energy: -67.931
Base-Backbone interact. energy: -0.975
local terms energy: -83.384690
where:
bonds (distance) C4'-P energy: -24.584
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -9.344
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: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -124.423783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.423783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.423783 (E_RNA)
where:
Base-Base interactions energy: -60.587
where: short stacking energy: -36.608
Base-Backbone interact. energy: -0.689
local terms energy: -63.148305
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -112.948961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.948961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.948961 (E_RNA)
where:
Base-Base interactions energy: -38.267
where: short stacking energy: -28.816
Base-Backbone interact. energy: 1.450
local terms energy: -76.132737
where:
bonds (distance) C4'-P energy: -28.143
bonds (distance) P-C4' energy: -26.481
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: 5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -409.042623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.042623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.042623 (E_RNA)
where:
Base-Base interactions energy: -290.889
where: short stacking energy: -102.410
Base-Backbone interact. energy: -1.876
local terms energy: -116.277709
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -25.210
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -30.873
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: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -336.107361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.107361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.107361 (E_RNA)
where:
Base-Base interactions energy: -218.685
where: short stacking energy: -94.980
Base-Backbone interact. energy: -0.342
local terms energy: -117.080093
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -28.219
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: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -316.693199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.693199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.693199 (E_RNA)
where:
Base-Base interactions energy: -196.981
where: short stacking energy: -98.630
Base-Backbone interact. energy: -0.673
local terms energy: -119.039006
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -30.625
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: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -294.536806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.536806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.536806 (E_RNA)
where:
Base-Base interactions energy: -181.548
where: short stacking energy: -87.148
Base-Backbone interact. energy: 0.452
local terms energy: -113.440802
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -28.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -301.175871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.175871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.175871 (E_RNA)
where:
Base-Base interactions energy: -190.707
where: short stacking energy: -77.564
Base-Backbone interact. energy: 0.470
local terms energy: -110.938773
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -16.594
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: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -248.392727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.392727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.392727 (E_RNA)
where:
Base-Base interactions energy: -151.869
where: short stacking energy: -72.262
Base-Backbone interact. energy: -0.056
local terms energy: -96.467855
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -269.254250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.254250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.254250 (E_RNA)
where:
Base-Base interactions energy: -175.865
where: short stacking energy: -88.068
Base-Backbone interact. energy: -0.251
local terms energy: -93.138311
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -25.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -245.542602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.542602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.542602 (E_RNA)
where:
Base-Base interactions energy: -172.389
where: short stacking energy: -69.633
Base-Backbone interact. energy: 2.499
local terms energy: -75.652704
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -135.378665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.378665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.378665 (E_RNA)
where:
Base-Base interactions energy: -66.756
where: short stacking energy: -36.191
Base-Backbone interact. energy: 3.252
local terms energy: -71.874225
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -109.274460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.274460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.274460 (E_RNA)
where:
Base-Base interactions energy: -30.272
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.487
local terms energy: -78.515740
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -14.485
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: 1, replica: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -407.141628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.141628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.141628 (E_RNA)
where:
Base-Base interactions energy: -287.868
where: short stacking energy: -117.930
Base-Backbone interact. energy: 0.884
local terms energy: -120.157419
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -33.667
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: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -355.203949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.203949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.203949 (E_RNA)
where:
Base-Base interactions energy: -245.926
where: short stacking energy: -109.668
Base-Backbone interact. energy: -0.208
local terms energy: -109.070021
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -27.330
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: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -300.905251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.905251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.905251 (E_RNA)
where:
Base-Base interactions energy: -198.946
where: short stacking energy: -85.295
Base-Backbone interact. energy: -0.574
local terms energy: -101.384832
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -22.374
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: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -320.051957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.051957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.051957 (E_RNA)
where:
Base-Base interactions energy: -199.708
where: short stacking energy: -104.518
Base-Backbone interact. energy: -0.613
local terms energy: -119.730942
where:
bonds (distance) C4'-P energy: -24.354
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -25.441
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -31.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -291.385550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.385550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.385550 (E_RNA)
where:
Base-Base interactions energy: -184.598
where: short stacking energy: -83.294
Base-Backbone interact. energy: -0.402
local terms energy: -106.385440
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -272.824103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.824103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.824103 (E_RNA)
where:
Base-Base interactions energy: -167.209
where: short stacking energy: -80.820
Base-Backbone interact. energy: -0.843
local terms energy: -104.771702
where:
bonds (distance) C4'-P energy: -24.839
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -266.547082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.547082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.547082 (E_RNA)
where:
Base-Base interactions energy: -176.723
where: short stacking energy: -84.940
Base-Backbone interact. energy: -0.319
local terms energy: -89.505521
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -255.865447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.865447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.865447 (E_RNA)
where:
Base-Base interactions energy: -162.308
where: short stacking energy: -72.865
Base-Backbone interact. energy: 0.527
local terms energy: -94.084031
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -26.392
flat angles P-C4'-P energy: -14.727
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: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -120.616842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.616842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.616842 (E_RNA)
where:
Base-Base interactions energy: -53.962
where: short stacking energy: -28.437
Base-Backbone interact. energy: 0.068
local terms energy: -66.723475
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -6.123
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: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -116.995497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.995497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.995497 (E_RNA)
where:
Base-Base interactions energy: -44.551
where: short stacking energy: -44.512
Base-Backbone interact. energy: -0.424
local terms energy: -72.020107
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: 1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -404.699394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.699394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.699394 (E_RNA)
where:
Base-Base interactions energy: -274.903
where: short stacking energy: -110.647
Base-Backbone interact. energy: -0.573
local terms energy: -129.223883
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -28.639
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -32.833
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: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -356.262725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.262725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.262725 (E_RNA)
where:
Base-Base interactions energy: -238.348
where: short stacking energy: -104.651
Base-Backbone interact. energy: -0.006
local terms energy: -117.908406
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -27.526
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -30.088
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: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -298.104178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.104178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.104178 (E_RNA)
where:
Base-Base interactions energy: -190.973
where: short stacking energy: -87.718
Base-Backbone interact. energy: 0.045
local terms energy: -107.175260
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -23.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -295.856538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.856538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.856538 (E_RNA)
where:
Base-Base interactions energy: -186.622
where: short stacking energy: -79.349
Base-Backbone interact. energy: -1.262
local terms energy: -107.972459
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -288.075951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.075951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.075951 (E_RNA)
where:
Base-Base interactions energy: -177.974
where: short stacking energy: -80.437
Base-Backbone interact. energy: -1.641
local terms energy: -108.460276
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -28.453
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -20.996
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: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -282.174206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.174206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.174206 (E_RNA)
where:
Base-Base interactions energy: -184.597
where: short stacking energy: -76.780
Base-Backbone interact. energy: -0.751
local terms energy: -96.826306
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -13.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -257.255244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.255244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.255244 (E_RNA)
where:
Base-Base interactions energy: -161.121
where: short stacking energy: -76.063
Base-Backbone interact. energy: 0.162
local terms energy: -96.296498
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -250.964245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.964245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.964245 (E_RNA)
where:
Base-Base interactions energy: -160.238
where: short stacking energy: -75.506
Base-Backbone interact. energy: -0.146
local terms energy: -90.580423
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -13.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -136.880418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.880418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.880418 (E_RNA)
where:
Base-Base interactions energy: -45.467
where: short stacking energy: -44.038
Base-Backbone interact. energy: -0.211
local terms energy: -91.202341
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -12.771
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: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -112.637180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.637180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.637180 (E_RNA)
where:
Base-Base interactions energy: -31.685
where: short stacking energy: -31.386
Base-Backbone interact. energy: -0.426
local terms energy: -80.526218
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -0.086
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: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -404.561710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.561710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.561710 (E_RNA)
where:
Base-Base interactions energy: -282.174
where: short stacking energy: -111.038
Base-Backbone interact. energy: -1.510
local terms energy: -120.877439
where:
bonds (distance) C4'-P energy: -26.096
bonds (distance) P-C4' energy: -20.944
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -30.648
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: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -354.946326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.946326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.946326 (E_RNA)
where:
Base-Base interactions energy: -241.811
where: short stacking energy: -118.136
Base-Backbone interact. energy: -0.006
local terms energy: -113.130044
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -30.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -321.204488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.204488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.204488 (E_RNA)
where:
Base-Base interactions energy: -199.177
where: short stacking energy: -102.813
Base-Backbone interact. energy: -0.497
local terms energy: -121.531078
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -30.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -335.981762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.981762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.981762 (E_RNA)
where:
Base-Base interactions energy: -220.022
where: short stacking energy: -95.495
Base-Backbone interact. energy: -0.362
local terms energy: -115.598277
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -26.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -302.990824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.990824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.990824 (E_RNA)
where:
Base-Base interactions energy: -194.551
where: short stacking energy: -88.585
Base-Backbone interact. energy: 0.086
local terms energy: -108.525795
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -26.464
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: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -272.875955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.875955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.875955 (E_RNA)
where:
Base-Base interactions energy: -176.330
where: short stacking energy: -70.993
Base-Backbone interact. energy: -0.767
local terms energy: -95.778796
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -263.170813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.170813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.170813 (E_RNA)
where:
Base-Base interactions energy: -165.768
where: short stacking energy: -78.963
Base-Backbone interact. energy: -0.128
local terms energy: -97.275060
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -243.848445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.848445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.848445 (E_RNA)
where:
Base-Base interactions energy: -148.247
where: short stacking energy: -63.405
Base-Backbone interact. energy: 0.624
local terms energy: -96.225002
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -128.150367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.150367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.150367 (E_RNA)
where:
Base-Base interactions energy: -37.905
where: short stacking energy: -34.713
Base-Backbone interact. energy: -0.166
local terms energy: -90.079580
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -8.679
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: 404
Temperature: 1.350000
Total energy: -128.481968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.481968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.481968 (E_RNA)
where:
Base-Base interactions energy: -39.813
where: short stacking energy: -37.953
Base-Backbone interact. energy: -0.316
local terms energy: -88.353445
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -397.788989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.788989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.788989 (E_RNA)
where:
Base-Base interactions energy: -273.422
where: short stacking energy: -106.764
Base-Backbone interact. energy: -1.169
local terms energy: -123.197761
where:
bonds (distance) C4'-P energy: -25.118
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -25.169
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -27.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -358.365105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.365105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.365105 (E_RNA)
where:
Base-Base interactions energy: -231.946
where: short stacking energy: -113.812
Base-Backbone interact. energy: -0.020
local terms energy: -126.399797
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -33.828
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: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -301.594044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.594044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.594044 (E_RNA)
where:
Base-Base interactions energy: -189.490
where: short stacking energy: -89.328
Base-Backbone interact. energy: -0.383
local terms energy: -111.720788
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -311.403419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.403419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.403419 (E_RNA)
where:
Base-Base interactions energy: -197.561
where: short stacking energy: -87.730
Base-Backbone interact. energy: -0.519
local terms energy: -113.322655
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -26.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -280.016648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.016648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.016648 (E_RNA)
where:
Base-Base interactions energy: -186.430
where: short stacking energy: -81.076
Base-Backbone interact. energy: -0.003
local terms energy: -93.583165
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -256.399869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.399869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.399869 (E_RNA)
where:
Base-Base interactions energy: -162.847
where: short stacking energy: -75.220
Base-Backbone interact. energy: 0.631
local terms energy: -94.183330
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -284.565397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.565397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.565397 (E_RNA)
where:
Base-Base interactions energy: -173.951
where: short stacking energy: -86.531
Base-Backbone interact. energy: -0.621
local terms energy: -109.993412
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -28.929
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: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -232.187433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.187433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.187433 (E_RNA)
where:
Base-Base interactions energy: -163.366
where: short stacking energy: -71.361
Base-Backbone interact. energy: -0.692
local terms energy: -68.128954
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -135.494219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.494219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.494219 (E_RNA)
where:
Base-Base interactions energy: -53.409
where: short stacking energy: -48.282
Base-Backbone interact. energy: 0.342
local terms energy: -82.427002
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -5.939
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: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -117.296062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.296062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.296062 (E_RNA)
where:
Base-Base interactions energy: -41.566
where: short stacking energy: -39.842
Base-Backbone interact. energy: -0.888
local terms energy: -74.842214
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -399.184138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.184138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.184138 (E_RNA)
where:
Base-Base interactions energy: -274.671
where: short stacking energy: -107.565
Base-Backbone interact. energy: -3.185
local terms energy: -121.328374
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -28.352
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: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -361.622399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.622399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.622399 (E_RNA)
where:
Base-Base interactions energy: -233.792
where: short stacking energy: -111.264
Base-Backbone interact. energy: -1.112
local terms energy: -126.718236
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -22.005
tors. eta vs tors. theta energy: -34.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -303.925643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.925643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.925643 (E_RNA)
where:
Base-Base interactions energy: -202.927
where: short stacking energy: -92.244
Base-Backbone interact. energy: -0.350
local terms energy: -100.648235
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -26.571
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -295.019497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.019497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.019497 (E_RNA)
where:
Base-Base interactions energy: -189.077
where: short stacking energy: -86.036
Base-Backbone interact. energy: -0.161
local terms energy: -105.780990
where:
bonds (distance) C4'-P energy: -24.769
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -24.871
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -276.224849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.224849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.224849 (E_RNA)
where:
Base-Base interactions energy: -176.897
where: short stacking energy: -78.772
Base-Backbone interact. energy: 1.102
local terms energy: -100.429382
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -272.074922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.074922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.074922 (E_RNA)
where:
Base-Base interactions energy: -171.661
where: short stacking energy: -74.350
Base-Backbone interact. energy: -0.719
local terms energy: -99.694778
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -268.367867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.367867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.367867 (E_RNA)
where:
Base-Base interactions energy: -160.959
where: short stacking energy: -65.158
Base-Backbone interact. energy: -0.051
local terms energy: -107.357921
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -221.556093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.556093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.556093 (E_RNA)
where:
Base-Base interactions energy: -136.785
where: short stacking energy: -64.976
Base-Backbone interact. energy: -0.465
local terms energy: -84.306562
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -119.886280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.886280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.886280 (E_RNA)
where:
Base-Base interactions energy: -44.809
where: short stacking energy: -44.382
Base-Backbone interact. energy: 0.126
local terms energy: -75.203064
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: 1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -112.903004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.903004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.903004 (E_RNA)
where:
Base-Base interactions energy: -34.781
where: short stacking energy: -29.237
Base-Backbone interact. energy: -0.482
local terms energy: -77.640590
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -29.439
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -11.802
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: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -407.799010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.799010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.799010 (E_RNA)
where:
Base-Base interactions energy: -289.600
where: short stacking energy: -104.753
Base-Backbone interact. energy: -2.056
local terms energy: -116.142496
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -17.629
tors. eta vs tors. theta energy: -24.923
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: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -362.367723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.367723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.367723 (E_RNA)
where:
Base-Base interactions energy: -238.598
where: short stacking energy: -109.228
Base-Backbone interact. energy: -2.639
local terms energy: -121.130804
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -28.731
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -28.021
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: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -304.808090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.808090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.808090 (E_RNA)
where:
Base-Base interactions energy: -186.224
where: short stacking energy: -90.584
Base-Backbone interact. energy: 0.784
local terms energy: -119.368517
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -30.165
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -305.811322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.811322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.811322 (E_RNA)
where:
Base-Base interactions energy: -189.990
where: short stacking energy: -78.272
Base-Backbone interact. energy: -1.102
local terms energy: -114.719051
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -17.329
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: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -271.038611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.038611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.038611 (E_RNA)
where:
Base-Base interactions energy: -173.390
where: short stacking energy: -83.925
Base-Backbone interact. energy: -0.504
local terms energy: -97.145169
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -22.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -285.228650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.228650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.228650 (E_RNA)
where:
Base-Base interactions energy: -179.491
where: short stacking energy: -77.006
Base-Backbone interact. energy: -0.577
local terms energy: -105.160189
where:
bonds (distance) C4'-P energy: -26.620
bonds (distance) P-C4' energy: -26.237
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -255.593986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.593986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.593986 (E_RNA)
where:
Base-Base interactions energy: -164.183
where: short stacking energy: -72.911
Base-Backbone interact. energy: 0.006
local terms energy: -91.417773
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -15.312
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: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -269.707346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.707346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.707346 (E_RNA)
where:
Base-Base interactions energy: -170.744
where: short stacking energy: -69.417
Base-Backbone interact. energy: -0.074
local terms energy: -98.889680
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -116.479341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.479341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.479341 (E_RNA)
where:
Base-Base interactions energy: -41.639
where: short stacking energy: -43.140
Base-Backbone interact. energy: -0.747
local terms energy: -74.093197
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -25.678
flat angles P-C4'-P energy: -6.797
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: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -114.121717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.121717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.121717 (E_RNA)
where:
Base-Base interactions energy: -43.181
where: short stacking energy: -26.661
Base-Backbone interact. energy: 0.263
local terms energy: -71.202918
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -21.920
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -394.272643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.272643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.272643 (E_RNA)
where:
Base-Base interactions energy: -271.736
where: short stacking energy: -99.630
Base-Backbone interact. energy: -1.706
local terms energy: -120.830580
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -26.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -356.784433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.784433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.784433 (E_RNA)
where:
Base-Base interactions energy: -234.252
where: short stacking energy: -104.193
Base-Backbone interact. energy: 0.476
local terms energy: -123.008276
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -24.830
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -308.645894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.645894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.645894 (E_RNA)
where:
Base-Base interactions energy: -205.899
where: short stacking energy: -69.822
Base-Backbone interact. energy: -0.369
local terms energy: -102.377860
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -16.368
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: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -296.670105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.670105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.670105 (E_RNA)
where:
Base-Base interactions energy: -185.073
where: short stacking energy: -97.870
Base-Backbone interact. energy: 1.051
local terms energy: -112.648511
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -296.670786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.670786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.670786 (E_RNA)
where:
Base-Base interactions energy: -201.373
where: short stacking energy: -95.447
Base-Backbone interact. energy: -0.153
local terms energy: -95.145070
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -25.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -267.278612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.278612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.278612 (E_RNA)
where:
Base-Base interactions energy: -162.661
where: short stacking energy: -88.191
Base-Backbone interact. energy: -0.571
local terms energy: -104.046479
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -262.178871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.178871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.178871 (E_RNA)
where:
Base-Base interactions energy: -168.100
where: short stacking energy: -73.161
Base-Backbone interact. energy: -0.271
local terms energy: -93.808508
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -16.213
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: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -246.547551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.547551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.547551 (E_RNA)
where:
Base-Base interactions energy: -156.804
where: short stacking energy: -76.652
Base-Backbone interact. energy: -0.102
local terms energy: -89.641061
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -122.281019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.281019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.281019 (E_RNA)
where:
Base-Base interactions energy: -38.690
where: short stacking energy: -37.405
Base-Backbone interact. energy: 0.575
local terms energy: -84.166299
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -12.120
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: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -128.676368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.676368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.676368 (E_RNA)
where:
Base-Base interactions energy: -42.478
where: short stacking energy: -41.423
Base-Backbone interact. energy: 0.063
local terms energy: -86.261115
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -403.304396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.304396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.304396 (E_RNA)
where:
Base-Base interactions energy: -270.419
where: short stacking energy: -106.777
Base-Backbone interact. energy: -2.069
local terms energy: -130.816451
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -24.522
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -30.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -358.138496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.138496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.138496 (E_RNA)
where:
Base-Base interactions energy: -227.793
where: short stacking energy: -102.999
Base-Backbone interact. energy: -0.005
local terms energy: -130.339920
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -32.231
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: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -320.700627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.700627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.700627 (E_RNA)
where:
Base-Base interactions energy: -216.055
where: short stacking energy: -92.748
Base-Backbone interact. energy: -1.756
local terms energy: -102.889942
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -21.044
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: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -310.105866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.105866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.105866 (E_RNA)
where:
Base-Base interactions energy: -187.706
where: short stacking energy: -89.914
Base-Backbone interact. energy: -1.071
local terms energy: -121.329287
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -25.893
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: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -294.010159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.010159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.010159 (E_RNA)
where:
Base-Base interactions energy: -188.935
where: short stacking energy: -87.015
Base-Backbone interact. energy: -0.683
local terms energy: -104.392154
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -274.233995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.233995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.233995 (E_RNA)
where:
Base-Base interactions energy: -174.664
where: short stacking energy: -70.637
Base-Backbone interact. energy: -0.765
local terms energy: -98.804839
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -275.839736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.839736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.839736 (E_RNA)
where:
Base-Base interactions energy: -180.515
where: short stacking energy: -80.595
Base-Backbone interact. energy: -0.203
local terms energy: -95.121728
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -16.595
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: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -238.375428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.375428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.375428 (E_RNA)
where:
Base-Base interactions energy: -149.099
where: short stacking energy: -76.032
Base-Backbone interact. energy: -0.089
local terms energy: -89.188181
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -117.106418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.106418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.106418 (E_RNA)
where:
Base-Base interactions energy: -40.175
where: short stacking energy: -30.990
Base-Backbone interact. energy: -0.524
local terms energy: -76.407952
where:
bonds (distance) C4'-P energy: -24.972
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -117.957308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.957308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.957308 (E_RNA)
where:
Base-Base interactions energy: -45.649
where: short stacking energy: -40.180
Base-Backbone interact. energy: -0.397
local terms energy: -71.911637
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -0.900
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -408.081044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.081044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.081044 (E_RNA)
where:
Base-Base interactions energy: -275.207
where: short stacking energy: -114.288
Base-Backbone interact. energy: -0.479
local terms energy: -132.394965
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -34.281
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: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -334.942012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.942012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.942012 (E_RNA)
where:
Base-Base interactions energy: -222.712
where: short stacking energy: -83.497
Base-Backbone interact. energy: -1.402
local terms energy: -110.828179
where:
bonds (distance) C4'-P energy: -27.613
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -325.828950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.828950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.828950 (E_RNA)
where:
Base-Base interactions energy: -223.401
where: short stacking energy: -76.955
Base-Backbone interact. energy: 3.625
local terms energy: -106.052590
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -16.847
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: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -305.931510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.931510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.931510 (E_RNA)
where:
Base-Base interactions energy: -196.529
where: short stacking energy: -102.464
Base-Backbone interact. energy: -0.006
local terms energy: -109.396775
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -28.509
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -26.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -271.724071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.724071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.724071 (E_RNA)
where:
Base-Base interactions energy: -176.792
where: short stacking energy: -75.280
Base-Backbone interact. energy: -0.198
local terms energy: -94.733889
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -273.803041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.803041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.803041 (E_RNA)
where:
Base-Base interactions energy: -186.965
where: short stacking energy: -74.264
Base-Backbone interact. energy: -0.314
local terms energy: -86.524409
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -26.325
flat angles P-C4'-P energy: -1.140
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -248.771008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.771008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.771008 (E_RNA)
where:
Base-Base interactions energy: -161.944
where: short stacking energy: -75.895
Base-Backbone interact. energy: -0.563
local terms energy: -86.264385
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -257.637878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.637878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.637878 (E_RNA)
where:
Base-Base interactions energy: -165.435
where: short stacking energy: -63.967
Base-Backbone interact. energy: 1.530
local terms energy: -93.733273
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -127.194309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.194309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.194309 (E_RNA)
where:
Base-Base interactions energy: -49.350
where: short stacking energy: -35.980
Base-Backbone interact. energy: 0.200
local terms energy: -78.044426
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -3.444
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: 410
Temperature: 1.350000
Total energy: -132.781786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.781786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.781786 (E_RNA)
where:
Base-Base interactions energy: -53.221
where: short stacking energy: -48.743
Base-Backbone interact. energy: -0.216
local terms energy: -79.344811
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -3.906
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: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -411.349131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.349131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.349131 (E_RNA)
where:
Base-Base interactions energy: -289.609
where: short stacking energy: -114.241
Base-Backbone interact. energy: -1.076
local terms energy: -120.664716
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -32.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -313.145614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.145614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.145614 (E_RNA)
where:
Base-Base interactions energy: -213.973
where: short stacking energy: -71.194
Base-Backbone interact. energy: 0.645
local terms energy: -99.817915
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -352.017562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.017562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.017562 (E_RNA)
where:
Base-Base interactions energy: -236.362
where: short stacking energy: -97.105
Base-Backbone interact. energy: 0.085
local terms energy: -115.740673
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -271.693691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.693691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.693691 (E_RNA)
where:
Base-Base interactions energy: -166.397
where: short stacking energy: -74.128
Base-Backbone interact. energy: -0.840
local terms energy: -104.456894
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -16.896
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: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -289.417766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.417766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.417766 (E_RNA)
where:
Base-Base interactions energy: -176.515
where: short stacking energy: -92.989
Base-Backbone interact. energy: -0.451
local terms energy: -112.451161
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -24.542
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: 411
Temperature: 1.150000
Total energy: -281.074815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.074815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.074815 (E_RNA)
where:
Base-Base interactions energy: -185.298
where: short stacking energy: -81.016
Base-Backbone interact. energy: 0.964
local terms energy: -96.741239
where:
bonds (distance) C4'-P energy: -27.421
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -264.325135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.325135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.325135 (E_RNA)
where:
Base-Base interactions energy: -163.966
where: short stacking energy: -70.060
Base-Backbone interact. energy: -0.661
local terms energy: -99.698748
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -241.229494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.229494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.229494 (E_RNA)
where:
Base-Base interactions energy: -153.879
where: short stacking energy: -66.688
Base-Backbone interact. energy: -0.786
local terms energy: -86.564668
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -11.571
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: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -118.160738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.160738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.160738 (E_RNA)
where:
Base-Base interactions energy: -37.956
where: short stacking energy: -33.338
Base-Backbone interact. energy: -0.428
local terms energy: -79.777515
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -109.434042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.434042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.434042 (E_RNA)
where:
Base-Base interactions energy: -38.940
where: short stacking energy: -31.978
Base-Backbone interact. energy: -1.050
local terms energy: -69.443946
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: 3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -418.150289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.150289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.150289 (E_RNA)
where:
Base-Base interactions energy: -297.484
where: short stacking energy: -113.544
Base-Backbone interact. energy: 0.844
local terms energy: -121.509865
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -30.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -319.735956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.735956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.735956 (E_RNA)
where:
Base-Base interactions energy: -215.546
where: short stacking energy: -79.289
Base-Backbone interact. energy: -0.910
local terms energy: -103.280415
where:
bonds (distance) C4'-P energy: -24.132
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -11.208
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: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -314.699901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.699901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.699901 (E_RNA)
where:
Base-Base interactions energy: -193.650
where: short stacking energy: -100.510
Base-Backbone interact. energy: -0.466
local terms energy: -120.584266
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -26.439
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: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -307.365867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.365867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.365867 (E_RNA)
where:
Base-Base interactions energy: -206.577
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.519
local terms energy: -100.270393
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -286.928760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.928760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.928760 (E_RNA)
where:
Base-Base interactions energy: -167.936
where: short stacking energy: -86.659
Base-Backbone interact. energy: -1.145
local terms energy: -117.847710
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -21.036
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: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -284.826808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.826808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.826808 (E_RNA)
where:
Base-Base interactions energy: -188.507
where: short stacking energy: -76.087
Base-Backbone interact. energy: -1.263
local terms energy: -95.056951
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -17.094
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: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -263.298260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.298260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.298260 (E_RNA)
where:
Base-Base interactions energy: -174.413
where: short stacking energy: -66.268
Base-Backbone interact. energy: -0.623
local terms energy: -88.262257
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -220.926894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.926894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.926894 (E_RNA)
where:
Base-Base interactions energy: -140.144
where: short stacking energy: -66.868
Base-Backbone interact. energy: 0.258
local terms energy: -81.041169
where:
bonds (distance) C4'-P energy: -26.080
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -116.225507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.225507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.225507 (E_RNA)
where:
Base-Base interactions energy: -42.486
where: short stacking energy: -41.459
Base-Backbone interact. energy: 0.733
local terms energy: -74.472746
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: 3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -115.560748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.560748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.560748 (E_RNA)
where:
Base-Base interactions energy: -45.040
where: short stacking energy: -30.656
Base-Backbone interact. energy: -0.101
local terms energy: -70.419683
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -7.955
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: 1, replica: 10
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -407.342795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.342795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.342795 (E_RNA)
where:
Base-Base interactions energy: -284.544
where: short stacking energy: -111.178
Base-Backbone interact. energy: -1.613
local terms energy: -121.185672
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -27.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -339.073249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.073249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.073249 (E_RNA)
where:
Base-Base interactions energy: -213.864
where: short stacking energy: -103.559
Base-Backbone interact. energy: -0.214
local terms energy: -124.995303
where:
bonds (distance) C4'-P energy: -25.925
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -27.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -291.746825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.746825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.746825 (E_RNA)
where:
Base-Base interactions energy: -177.024
where: short stacking energy: -83.438
Base-Backbone interact. energy: -0.365
local terms energy: -114.358461
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -27.186
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -310.445740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.445740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.445740 (E_RNA)
where:
Base-Base interactions energy: -206.721
where: short stacking energy: -91.799
Base-Backbone interact. energy: -1.596
local terms energy: -102.128938
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -25.418
flat angles P-C4'-P energy: -17.252
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: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -284.464549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.464549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.464549 (E_RNA)
where:
Base-Base interactions energy: -178.440
where: short stacking energy: -74.418
Base-Backbone interact. energy: -0.259
local terms energy: -105.765135
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -27.018
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -14.804
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: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -276.831276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.831276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.831276 (E_RNA)
where:
Base-Base interactions energy: -164.923
where: short stacking energy: -76.967
Base-Backbone interact. energy: 0.605
local terms energy: -112.512765
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -27.579
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -21.958
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: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -280.891046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.891046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.891046 (E_RNA)
where:
Base-Base interactions energy: -180.752
where: short stacking energy: -77.015
Base-Backbone interact. energy: 1.798
local terms energy: -101.937503
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -207.470011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.470011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.470011 (E_RNA)
where:
Base-Base interactions energy: -137.338
where: short stacking energy: -51.143
Base-Backbone interact. energy: -0.921
local terms energy: -69.211419
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: 1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -119.873555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.873555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.873555 (E_RNA)
where:
Base-Base interactions energy: -50.919
where: short stacking energy: -45.510
Base-Backbone interact. energy: 0.914
local terms energy: -69.868935
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: 0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -125.024099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.024099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.024099 (E_RNA)
where:
Base-Base interactions energy: -49.502
where: short stacking energy: -31.682
Base-Backbone interact. energy: 2.163
local terms energy: -77.684620
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -410.186046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.186046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.186046 (E_RNA)
where:
Base-Base interactions energy: -289.756
where: short stacking energy: -111.290
Base-Backbone interact. energy: -1.347
local terms energy: -119.082851
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -24.738
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -31.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -330.196192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.196192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.196192 (E_RNA)
where:
Base-Base interactions energy: -206.881
where: short stacking energy: -111.100
Base-Backbone interact. energy: -0.049
local terms energy: -123.265614
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -27.901
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: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -314.455411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.455411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.455411 (E_RNA)
where:
Base-Base interactions energy: -204.669
where: short stacking energy: -91.578
Base-Backbone interact. energy: 0.161
local terms energy: -109.948125
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -23.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -307.288043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.288043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.288043 (E_RNA)
where:
Base-Base interactions energy: -196.232
where: short stacking energy: -89.545
Base-Backbone interact. energy: -0.167
local terms energy: -110.888536
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -313.502631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.502631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.502631 (E_RNA)
where:
Base-Base interactions energy: -218.639
where: short stacking energy: -82.342
Base-Backbone interact. energy: 2.399
local terms energy: -97.263439
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -296.774009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.774009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.774009 (E_RNA)
where:
Base-Base interactions energy: -187.170
where: short stacking energy: -89.862
Base-Backbone interact. energy: -0.247
local terms energy: -109.356588
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -24.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -269.064952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.064952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.064952 (E_RNA)
where:
Base-Base interactions energy: -175.087
where: short stacking energy: -69.258
Base-Backbone interact. energy: -0.110
local terms energy: -93.868286
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -12.019
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: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -241.098575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.098575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.098575 (E_RNA)
where:
Base-Base interactions energy: -146.759
where: short stacking energy: -62.952
Base-Backbone interact. energy: -1.005
local terms energy: -93.334845
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -12.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -143.097531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.097531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.097531 (E_RNA)
where:
Base-Base interactions energy: -63.565
where: short stacking energy: -38.133
Base-Backbone interact. energy: -0.393
local terms energy: -79.138977
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -131.918908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.918908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.918908 (E_RNA)
where:
Base-Base interactions energy: -59.222
where: short stacking energy: -40.779
Base-Backbone interact. energy: -0.357
local terms energy: -72.340200
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -422.947825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.947825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.947825 (E_RNA)
where:
Base-Base interactions energy: -294.495
where: short stacking energy: -110.187
Base-Backbone interact. energy: -1.100
local terms energy: -127.352613
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -26.071
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -33.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -341.531656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.531656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.531656 (E_RNA)
where:
Base-Base interactions energy: -225.744
where: short stacking energy: -96.869
Base-Backbone interact. energy: 1.590
local terms energy: -117.377383
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -25.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -319.999331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.999331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.999331 (E_RNA)
where:
Base-Base interactions energy: -194.419
where: short stacking energy: -93.765
Base-Backbone interact. energy: -0.661
local terms energy: -124.918757
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -26.654
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: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -293.472471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.472471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.472471 (E_RNA)
where:
Base-Base interactions energy: -194.919
where: short stacking energy: -80.971
Base-Backbone interact. energy: -0.106
local terms energy: -98.447407
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -11.467
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: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -301.334830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.334830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.334830 (E_RNA)
where:
Base-Base interactions energy: -187.785
where: short stacking energy: -102.762
Base-Backbone interact. energy: 0.196
local terms energy: -113.746273
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -22.636
tors. eta vs tors. theta energy: -24.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -299.304285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.304285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.304285 (E_RNA)
where:
Base-Base interactions energy: -189.581
where: short stacking energy: -78.892
Base-Backbone interact. energy: -0.710
local terms energy: -109.013193
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -27.632
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -280.603604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.603604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.603604 (E_RNA)
where:
Base-Base interactions energy: -177.799
where: short stacking energy: -84.963
Base-Backbone interact. energy: -0.199
local terms energy: -102.605988
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -23.454
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: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -244.223564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.223564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.223564 (E_RNA)
where:
Base-Base interactions energy: -149.047
where: short stacking energy: -68.234
Base-Backbone interact. energy: 0.035
local terms energy: -95.211244
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -119.015496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.015496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.015496 (E_RNA)
where:
Base-Base interactions energy: -45.339
where: short stacking energy: -26.873
Base-Backbone interact. energy: -1.153
local terms energy: -72.522891
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: 1.340
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: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -115.529028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.529028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.529028 (E_RNA)
where:
Base-Base interactions energy: -41.400
where: short stacking energy: -31.049
Base-Backbone interact. energy: -0.275
local terms energy: -73.854324
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -19.283
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: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -414.424041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.424041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.424041 (E_RNA)
where:
Base-Base interactions energy: -291.343
where: short stacking energy: -110.978
Base-Backbone interact. energy: -0.909
local terms energy: -122.171165
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -28.731
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -29.480
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: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -326.438426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.438426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.438426 (E_RNA)
where:
Base-Base interactions energy: -214.884
where: short stacking energy: -100.554
Base-Backbone interact. energy: -0.873
local terms energy: -110.680659
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -308.199068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.199068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.199068 (E_RNA)
where:
Base-Base interactions energy: -191.610
where: short stacking energy: -92.169
Base-Backbone interact. energy: -0.112
local terms energy: -116.477036
where:
bonds (distance) C4'-P energy: -24.236
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -27.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -286.715086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.715086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.715086 (E_RNA)
where:
Base-Base interactions energy: -186.796
where: short stacking energy: -85.518
Base-Backbone interact. energy: -0.639
local terms energy: -99.280917
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -309.669177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.669177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.669177 (E_RNA)
where:
Base-Base interactions energy: -190.587
where: short stacking energy: -103.096
Base-Backbone interact. energy: -2.331
local terms energy: -116.750271
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -280.776788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.776788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.776788 (E_RNA)
where:
Base-Base interactions energy: -185.851
where: short stacking energy: -80.504
Base-Backbone interact. energy: -0.435
local terms energy: -94.491469
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -10.898
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: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -256.042510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.042510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.042510 (E_RNA)
where:
Base-Base interactions energy: -157.040
where: short stacking energy: -72.011
Base-Backbone interact. energy: -0.808
local terms energy: -98.193665
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -11.227
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: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -249.111329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.111329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.111329 (E_RNA)
where:
Base-Base interactions energy: -157.741
where: short stacking energy: -55.239
Base-Backbone interact. energy: 0.216
local terms energy: -91.585651
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -26.508
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -9.459
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: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -122.108016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.108016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.108016 (E_RNA)
where:
Base-Base interactions energy: -51.829
where: short stacking energy: -41.499
Base-Backbone interact. energy: 2.558
local terms energy: -72.836650
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -7.655
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -113.136211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.136211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.136211 (E_RNA)
where:
Base-Base interactions energy: -44.437
where: short stacking energy: -36.181
Base-Backbone interact. energy: 0.232
local terms energy: -68.930440
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: 1.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -416.682259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.682259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.682259 (E_RNA)
where:
Base-Base interactions energy: -281.799
where: short stacking energy: -110.599
Base-Backbone interact. energy: -0.656
local terms energy: -134.227762
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -28.109
flat angles P-C4'-P energy: -19.080
tors. eta vs tors. theta energy: -35.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -320.828275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.828275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.828275 (E_RNA)
where:
Base-Base interactions energy: -197.937
where: short stacking energy: -94.346
Base-Backbone interact. energy: -1.141
local terms energy: -121.750168
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -23.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -318.077659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.077659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.077659 (E_RNA)
where:
Base-Base interactions energy: -200.125
where: short stacking energy: -98.731
Base-Backbone interact. energy: -0.360
local terms energy: -117.592183
where:
bonds (distance) C4'-P energy: -27.493
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -27.052
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -280.279172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.279172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.279172 (E_RNA)
where:
Base-Base interactions energy: -181.235
where: short stacking energy: -82.006
Base-Backbone interact. energy: -0.187
local terms energy: -98.857359
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -12.659
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: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -274.148487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.148487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.148487 (E_RNA)
where:
Base-Base interactions energy: -166.142
where: short stacking energy: -73.030
Base-Backbone interact. energy: -1.542
local terms energy: -106.464055
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -19.474
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: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -254.987789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.987789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.987789 (E_RNA)
where:
Base-Base interactions energy: -156.968
where: short stacking energy: -70.548
Base-Backbone interact. energy: -0.682
local terms energy: -97.337766
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -13.403
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: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -260.188366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.188366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.188366 (E_RNA)
where:
Base-Base interactions energy: -173.035
where: short stacking energy: -61.025
Base-Backbone interact. energy: 1.168
local terms energy: -88.320854
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -25.103
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -20.778
tors. eta vs tors. theta energy: -10.558
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: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -271.387483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.387483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.387483 (E_RNA)
where:
Base-Base interactions energy: -180.331
where: short stacking energy: -71.466
Base-Backbone interact. energy: -0.372
local terms energy: -90.684375
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -148.907490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.907490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.907490 (E_RNA)
where:
Base-Base interactions energy: -79.217
where: short stacking energy: -40.227
Base-Backbone interact. energy: -0.711
local terms energy: -68.978788
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -26.136
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: 4.435
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: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -112.566105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.566105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.566105 (E_RNA)
where:
Base-Base interactions energy: -41.828
where: short stacking energy: -31.384
Base-Backbone interact. energy: -0.402
local terms energy: -70.336948
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -11.377
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: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -409.861064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.861064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.861064 (E_RNA)
where:
Base-Base interactions energy: -297.402
where: short stacking energy: -108.438
Base-Backbone interact. energy: -2.750
local terms energy: -109.708831
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -26.593
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -29.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -313.647184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.647184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.647184 (E_RNA)
where:
Base-Base interactions energy: -204.630
where: short stacking energy: -104.793
Base-Backbone interact. energy: -1.023
local terms energy: -107.994358
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -25.693
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -327.467875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.467875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.467875 (E_RNA)
where:
Base-Base interactions energy: -220.951
where: short stacking energy: -96.919
Base-Backbone interact. energy: -1.657
local terms energy: -104.860055
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -285.319335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.319335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.319335 (E_RNA)
where:
Base-Base interactions energy: -174.606
where: short stacking energy: -92.565
Base-Backbone interact. energy: -0.201
local terms energy: -110.512211
where:
bonds (distance) C4'-P energy: -26.817
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -301.677893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.677893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.677893 (E_RNA)
where:
Base-Base interactions energy: -187.266
where: short stacking energy: -90.038
Base-Backbone interact. energy: -0.004
local terms energy: -114.408350
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -268.245690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.245690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.245690 (E_RNA)
where:
Base-Base interactions energy: -162.451
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.259
local terms energy: -105.535194
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -290.328905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.328905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.328905 (E_RNA)
where:
Base-Base interactions energy: -189.850
where: short stacking energy: -82.354
Base-Backbone interact. energy: -1.705
local terms energy: -98.774050
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -24.608
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: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -250.843328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.843328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.843328 (E_RNA)
where:
Base-Base interactions energy: -156.261
where: short stacking energy: -58.091
Base-Backbone interact. energy: -0.357
local terms energy: -94.225836
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -26.643
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -121.552709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.552709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.552709 (E_RNA)
where:
Base-Base interactions energy: -48.094
where: short stacking energy: -39.190
Base-Backbone interact. energy: -0.192
local terms energy: -73.266346
where:
bonds (distance) C4'-P energy: -24.025
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -1.788
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: 418
Temperature: 1.350000
Total energy: -111.680961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.680961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.680961 (E_RNA)
where:
Base-Base interactions energy: -41.870
where: short stacking energy: -30.319
Base-Backbone interact. energy: 0.786
local terms energy: -70.597724
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: 1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -403.775404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.775404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.775404 (E_RNA)
where:
Base-Base interactions energy: -277.034
where: short stacking energy: -118.567
Base-Backbone interact. energy: -0.820
local terms energy: -125.921304
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -34.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -349.986419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.986419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.986419 (E_RNA)
where:
Base-Base interactions energy: -228.470
where: short stacking energy: -97.758
Base-Backbone interact. energy: -0.426
local terms energy: -121.090020
where:
bonds (distance) C4'-P energy: -27.153
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -24.793
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: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -308.234009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.234009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.234009 (E_RNA)
where:
Base-Base interactions energy: -187.432
where: short stacking energy: -93.421
Base-Backbone interact. energy: -0.026
local terms energy: -120.775802
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -23.624
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: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -312.337143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.337143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.337143 (E_RNA)
where:
Base-Base interactions energy: -190.303
where: short stacking energy: -81.188
Base-Backbone interact. energy: -0.048
local terms energy: -121.985487
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -26.145
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -26.711
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: 419
Temperature: 1.100000
Total energy: -285.140384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.140384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.140384 (E_RNA)
where:
Base-Base interactions energy: -182.324
where: short stacking energy: -75.464
Base-Backbone interact. energy: -2.164
local terms energy: -100.652374
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -16.960
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: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -291.014586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.014586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.014586 (E_RNA)
where:
Base-Base interactions energy: -183.719
where: short stacking energy: -91.297
Base-Backbone interact. energy: -0.353
local terms energy: -106.942611
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -26.909
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -250.081380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.081380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.081380 (E_RNA)
where:
Base-Base interactions energy: -139.040
where: short stacking energy: -66.216
Base-Backbone interact. energy: -1.884
local terms energy: -109.157292
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -27.050
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -274.571203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.571203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.571203 (E_RNA)
where:
Base-Base interactions energy: -180.042
where: short stacking energy: -76.427
Base-Backbone interact. energy: 1.531
local terms energy: -96.059327
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -128.889219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.889219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.889219 (E_RNA)
where:
Base-Base interactions energy: -48.354
where: short stacking energy: -47.220
Base-Backbone interact. energy: -0.491
local terms energy: -80.044415
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -10.628
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: 419
Temperature: 1.350000
Total energy: -124.433784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.433784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.433784 (E_RNA)
where:
Base-Base interactions energy: -43.563
where: short stacking energy: -40.530
Base-Backbone interact. energy: 0.110
local terms energy: -80.980200
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -0.213
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: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -390.771403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.771403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.771403 (E_RNA)
where:
Base-Base interactions energy: -271.723
where: short stacking energy: -105.771
Base-Backbone interact. energy: -0.978
local terms energy: -118.070155
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -26.744
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -27.777
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: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -370.794795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.794795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.794795 (E_RNA)
where:
Base-Base interactions energy: -244.155
where: short stacking energy: -107.582
Base-Backbone interact. energy: -0.199
local terms energy: -126.441104
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -28.345
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -19.301
tors. eta vs tors. theta energy: -30.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -321.435491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.435491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.435491 (E_RNA)
where:
Base-Base interactions energy: -208.791
where: short stacking energy: -108.253
Base-Backbone interact. energy: 0.848
local terms energy: -113.492316
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -33.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -294.604925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.604925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.604925 (E_RNA)
where:
Base-Base interactions energy: -185.019
where: short stacking energy: -105.463
Base-Backbone interact. energy: 0.553
local terms energy: -110.139396
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -24.025
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: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -293.222498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.222498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.222498 (E_RNA)
where:
Base-Base interactions energy: -194.771
where: short stacking energy: -98.574
Base-Backbone interact. energy: 0.658
local terms energy: -99.109444
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -284.143843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.143843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.143843 (E_RNA)
where:
Base-Base interactions energy: -170.631
where: short stacking energy: -83.992
Base-Backbone interact. energy: -0.208
local terms energy: -113.305110
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -24.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -274.009921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.009921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.009921 (E_RNA)
where:
Base-Base interactions energy: -179.558
where: short stacking energy: -85.045
Base-Backbone interact. energy: -0.024
local terms energy: -94.428132
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -253.552639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.552639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.552639 (E_RNA)
where:
Base-Base interactions energy: -157.977
where: short stacking energy: -58.889
Base-Backbone interact. energy: -0.326
local terms energy: -95.249402
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -28.162
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -120.801927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.801927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.801927 (E_RNA)
where:
Base-Base interactions energy: -50.215
where: short stacking energy: -25.583
Base-Backbone interact. energy: -1.917
local terms energy: -68.670126
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -26.229
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: 11.060
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: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -114.667047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.667047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.667047 (E_RNA)
where:
Base-Base interactions energy: -50.811
where: short stacking energy: -41.634
Base-Backbone interact. energy: -0.669
local terms energy: -63.186497
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -11.927
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: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -397.795620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.795620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.795620 (E_RNA)
where:
Base-Base interactions energy: -272.118
where: short stacking energy: -103.446
Base-Backbone interact. energy: 0.202
local terms energy: -125.879716
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -25.401
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: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -368.556485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.556485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.556485 (E_RNA)
where:
Base-Base interactions energy: -245.124
where: short stacking energy: -104.109
Base-Backbone interact. energy: -0.152
local terms energy: -123.280668
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -30.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -323.594759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.594759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.594759 (E_RNA)
where:
Base-Base interactions energy: -214.200
where: short stacking energy: -102.599
Base-Backbone interact. energy: -0.068
local terms energy: -109.327030
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -28.469
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: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -302.043899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.043899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.043899 (E_RNA)
where:
Base-Base interactions energy: -188.377
where: short stacking energy: -73.288
Base-Backbone interact. energy: -0.454
local terms energy: -113.212849
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -30.387
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -291.843819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.843819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.843819 (E_RNA)
where:
Base-Base interactions energy: -186.387
where: short stacking energy: -79.503
Base-Backbone interact. energy: -1.243
local terms energy: -104.213748
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -19.164
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -288.157750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.157750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.157750 (E_RNA)
where:
Base-Base interactions energy: -179.382
where: short stacking energy: -70.233
Base-Backbone interact. energy: -0.951
local terms energy: -107.824146
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -31.526
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -271.367172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.367172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.367172 (E_RNA)
where:
Base-Base interactions energy: -171.521
where: short stacking energy: -73.724
Base-Backbone interact. energy: -0.209
local terms energy: -99.637405
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -233.661552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.661552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.661552 (E_RNA)
where:
Base-Base interactions energy: -141.970
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.158
local terms energy: -91.533956
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -132.544438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.544438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.544438 (E_RNA)
where:
Base-Base interactions energy: -48.032
where: short stacking energy: -41.978
Base-Backbone interact. energy: -0.194
local terms energy: -84.317881
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -12.550
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: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -122.773509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.773509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.773509 (E_RNA)
where:
Base-Base interactions energy: -46.148
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.198
local terms energy: -76.427171
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -403.860690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.860690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.860690 (E_RNA)
where:
Base-Base interactions energy: -285.402
where: short stacking energy: -113.017
Base-Backbone interact. energy: 4.685
local terms energy: -123.143685
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -27.118
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -31.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -368.151070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.151070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.151070 (E_RNA)
where:
Base-Base interactions energy: -245.823
where: short stacking energy: -113.985
Base-Backbone interact. energy: -1.582
local terms energy: -120.745601
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -38.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -308.098159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.098159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.098159 (E_RNA)
where:
Base-Base interactions energy: -186.728
where: short stacking energy: -85.924
Base-Backbone interact. energy: 0.204
local terms energy: -121.575029
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -26.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -316.112034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.112034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.112034 (E_RNA)
where:
Base-Base interactions energy: -215.285
where: short stacking energy: -91.404
Base-Backbone interact. energy: -0.594
local terms energy: -100.233363
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -297.954395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.954395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.954395 (E_RNA)
where:
Base-Base interactions energy: -192.438
where: short stacking energy: -85.998
Base-Backbone interact. energy: -0.187
local terms energy: -105.329316
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -19.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -289.142237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.142237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.142237 (E_RNA)
where:
Base-Base interactions energy: -177.544
where: short stacking energy: -79.879
Base-Backbone interact. energy: -0.398
local terms energy: -111.199702
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -22.993
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: 422
Temperature: 1.200000
Total energy: -265.480501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.480501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.480501 (E_RNA)
where:
Base-Base interactions energy: -161.971
where: short stacking energy: -75.857
Base-Backbone interact. energy: -0.052
local terms energy: -103.457061
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -21.454
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: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -271.346284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.346284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.346284 (E_RNA)
where:
Base-Base interactions energy: -167.718
where: short stacking energy: -89.576
Base-Backbone interact. energy: 0.739
local terms energy: -104.367314
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -24.011
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: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -119.758331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.758331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.758331 (E_RNA)
where:
Base-Base interactions energy: -42.190
where: short stacking energy: -38.063
Base-Backbone interact. energy: -0.212
local terms energy: -77.356580
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -108.361009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.361009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.361009 (E_RNA)
where:
Base-Base interactions energy: -44.656
where: short stacking energy: -33.932
Base-Backbone interact. energy: -0.287
local terms energy: -63.418100
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: 0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -400.749767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.749767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.749767 (E_RNA)
where:
Base-Base interactions energy: -274.926
where: short stacking energy: -108.204
Base-Backbone interact. energy: -1.303
local terms energy: -124.520675
where:
bonds (distance) C4'-P energy: -27.634
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -24.842
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -31.556
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: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -374.135825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.135825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.135825 (E_RNA)
where:
Base-Base interactions energy: -246.255
where: short stacking energy: -118.323
Base-Backbone interact. energy: -0.129
local terms energy: -127.752327
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -26.732
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -37.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -296.921596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.921596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.921596 (E_RNA)
where:
Base-Base interactions energy: -192.475
where: short stacking energy: -99.879
Base-Backbone interact. energy: -0.055
local terms energy: -104.391849
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -293.503328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.503328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.503328 (E_RNA)
where:
Base-Base interactions energy: -181.011
where: short stacking energy: -79.307
Base-Backbone interact. energy: -0.026
local terms energy: -112.466272
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -298.954765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.954765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.954765 (E_RNA)
where:
Base-Base interactions energy: -199.464
where: short stacking energy: -89.236
Base-Backbone interact. energy: 0.173
local terms energy: -99.663742
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -20.943
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -286.931548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.931548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.931548 (E_RNA)
where:
Base-Base interactions energy: -181.914
where: short stacking energy: -77.045
Base-Backbone interact. energy: 0.416
local terms energy: -105.433187
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -29.037
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -268.419238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.419238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.419238 (E_RNA)
where:
Base-Base interactions energy: -166.016
where: short stacking energy: -78.929
Base-Backbone interact. energy: -0.867
local terms energy: -101.536175
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -28.856
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -9.967
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: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -261.427504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.427504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.427504 (E_RNA)
where:
Base-Base interactions energy: -166.981
where: short stacking energy: -77.112
Base-Backbone interact. energy: -0.587
local terms energy: -93.859915
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -124.396483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.396483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.396483 (E_RNA)
where:
Base-Base interactions energy: -51.395
where: short stacking energy: -30.908
Base-Backbone interact. energy: -0.053
local terms energy: -72.948474
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -103.496076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.496076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.496076 (E_RNA)
where:
Base-Base interactions energy: -33.451
where: short stacking energy: -31.001
Base-Backbone interact. energy: -0.189
local terms energy: -69.856618
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: 0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -393.259369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.259369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.259369 (E_RNA)
where:
Base-Base interactions energy: -277.745
where: short stacking energy: -109.172
Base-Backbone interact. energy: 2.351
local terms energy: -117.865771
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -29.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -374.703903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.703903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.703903 (E_RNA)
where:
Base-Base interactions energy: -253.057
where: short stacking energy: -108.856
Base-Backbone interact. energy: -0.050
local terms energy: -121.596438
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -22.231
tors. eta vs tors. theta energy: -31.762
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: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -298.018852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.018852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.018852 (E_RNA)
where:
Base-Base interactions energy: -178.281
where: short stacking energy: -93.624
Base-Backbone interact. energy: -0.171
local terms energy: -119.567502
where:
bonds (distance) C4'-P energy: -28.991
bonds (distance) P-C4' energy: -26.632
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -286.411448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.411448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.411448 (E_RNA)
where:
Base-Base interactions energy: -163.889
where: short stacking energy: -81.632
Base-Backbone interact. energy: -1.464
local terms energy: -121.058495
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -27.631
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -26.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -275.525212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.525212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.525212 (E_RNA)
where:
Base-Base interactions energy: -169.558
where: short stacking energy: -79.560
Base-Backbone interact. energy: -0.038
local terms energy: -105.928754
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -271.936396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.936396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.936396 (E_RNA)
where:
Base-Base interactions energy: -174.201
where: short stacking energy: -71.381
Base-Backbone interact. energy: -1.272
local terms energy: -96.462776
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -17.826
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: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -262.172442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.172442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.172442 (E_RNA)
where:
Base-Base interactions energy: -172.843
where: short stacking energy: -67.951
Base-Backbone interact. energy: -0.753
local terms energy: -88.576848
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -267.901530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.901530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.901530 (E_RNA)
where:
Base-Base interactions energy: -182.763
where: short stacking energy: -84.310
Base-Backbone interact. energy: -0.101
local terms energy: -85.037607
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -143.873611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.873611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.873611 (E_RNA)
where:
Base-Base interactions energy: -75.512
where: short stacking energy: -40.453
Base-Backbone interact. energy: -0.555
local terms energy: -67.806315
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: 1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -123.285668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.285668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.285668 (E_RNA)
where:
Base-Base interactions energy: -52.422
where: short stacking energy: -31.826
Base-Backbone interact. energy: 0.020
local terms energy: -70.883701
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: 0.585
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: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -389.450795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.450795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.450795 (E_RNA)
where:
Base-Base interactions energy: -270.567
where: short stacking energy: -97.876
Base-Backbone interact. energy: -0.741
local terms energy: -118.143107
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -27.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -353.831127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.831127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.831127 (E_RNA)
where:
Base-Base interactions energy: -235.919
where: short stacking energy: -99.051
Base-Backbone interact. energy: -0.285
local terms energy: -117.627332
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -27.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -320.390232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.390232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.390232 (E_RNA)
where:
Base-Base interactions energy: -199.536
where: short stacking energy: -87.641
Base-Backbone interact. energy: -0.380
local terms energy: -120.473814
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -24.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -284.310428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.310428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.310428 (E_RNA)
where:
Base-Base interactions energy: -173.589
where: short stacking energy: -83.813
Base-Backbone interact. energy: -1.037
local terms energy: -109.684602
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -20.768
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: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -270.910186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.910186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.910186 (E_RNA)
where:
Base-Base interactions energy: -166.049
where: short stacking energy: -70.179
Base-Backbone interact. energy: -0.081
local terms energy: -104.780157
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -29.157
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -267.160328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.160328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.160328 (E_RNA)
where:
Base-Base interactions energy: -167.134
where: short stacking energy: -76.222
Base-Backbone interact. energy: -0.718
local terms energy: -99.308515
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -27.251
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -271.748146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.748146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.748146 (E_RNA)
where:
Base-Base interactions energy: -168.922
where: short stacking energy: -76.180
Base-Backbone interact. energy: -0.281
local terms energy: -102.545685
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -258.788940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.788940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.788940 (E_RNA)
where:
Base-Base interactions energy: -173.551
where: short stacking energy: -77.125
Base-Backbone interact. energy: -0.352
local terms energy: -84.886620
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -124.988202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.988202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.988202 (E_RNA)
where:
Base-Base interactions energy: -41.767
where: short stacking energy: -42.728
Base-Backbone interact. energy: 0.006
local terms energy: -83.227130
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -109.861074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.861074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.861074 (E_RNA)
where:
Base-Base interactions energy: -29.616
where: short stacking energy: -19.231
Base-Backbone interact. energy: -0.562
local terms energy: -79.683376
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -398.821785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.821785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.821785 (E_RNA)
where:
Base-Base interactions energy: -287.138
where: short stacking energy: -106.962
Base-Backbone interact. energy: -0.683
local terms energy: -111.000448
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -22.135
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: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -369.176647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.176647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.176647 (E_RNA)
where:
Base-Base interactions energy: -250.687
where: short stacking energy: -102.801
Base-Backbone interact. energy: -0.133
local terms energy: -118.356598
where:
bonds (distance) C4'-P energy: -23.962
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -29.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -293.083305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.083305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.083305 (E_RNA)
where:
Base-Base interactions energy: -182.271
where: short stacking energy: -86.622
Base-Backbone interact. energy: -0.185
local terms energy: -110.627185
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -27.943
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -21.826
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: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -319.478340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.478340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.478340 (E_RNA)
where:
Base-Base interactions energy: -213.726
where: short stacking energy: -98.844
Base-Backbone interact. energy: -0.018
local terms energy: -105.734165
where:
bonds (distance) C4'-P energy: -22.443
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -26.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -296.889344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.889344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.889344 (E_RNA)
where:
Base-Base interactions energy: -184.327
where: short stacking energy: -92.675
Base-Backbone interact. energy: 1.088
local terms energy: -113.650108
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -23.871
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: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -272.528901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.528901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.528901 (E_RNA)
where:
Base-Base interactions energy: -177.299
where: short stacking energy: -78.633
Base-Backbone interact. energy: -1.138
local terms energy: -94.092432
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -23.532
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: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -267.646202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.646202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.646202 (E_RNA)
where:
Base-Base interactions energy: -168.678
where: short stacking energy: -72.177
Base-Backbone interact. energy: -0.414
local terms energy: -98.554053
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -12.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -264.302032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.302032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.302032 (E_RNA)
where:
Base-Base interactions energy: -169.247
where: short stacking energy: -65.019
Base-Backbone interact. energy: -1.299
local terms energy: -93.755928
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -25.812
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -10.857
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: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -134.929717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.929717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.929717 (E_RNA)
where:
Base-Base interactions energy: -60.821
where: short stacking energy: -42.661
Base-Backbone interact. energy: 0.435
local terms energy: -74.543541
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: 3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -115.455940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.455940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.455940 (E_RNA)
where:
Base-Base interactions energy: -42.970
where: short stacking energy: -37.392
Base-Backbone interact. energy: 0.244
local terms energy: -72.729891
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -9.208
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: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -401.771628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.771628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.771628 (E_RNA)
where:
Base-Base interactions energy: -280.184
where: short stacking energy: -111.705
Base-Backbone interact. energy: -0.584
local terms energy: -121.003608
where:
bonds (distance) C4'-P energy: -21.747
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -27.127
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: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -369.611104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.611104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.611104 (E_RNA)
where:
Base-Base interactions energy: -246.948
where: short stacking energy: -102.336
Base-Backbone interact. energy: -0.188
local terms energy: -122.475506
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -315.738413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.738413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.738413 (E_RNA)
where:
Base-Base interactions energy: -193.591
where: short stacking energy: -104.301
Base-Backbone interact. energy: -0.163
local terms energy: -121.984339
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -31.951
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: 427
Temperature: 1.050000
Total energy: -304.414837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.414837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.414837 (E_RNA)
where:
Base-Base interactions energy: -199.557
where: short stacking energy: -87.796
Base-Backbone interact. energy: 0.736
local terms energy: -105.593228
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -19.010
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: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -279.854816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.854816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.854816 (E_RNA)
where:
Base-Base interactions energy: -197.551
where: short stacking energy: -74.370
Base-Backbone interact. energy: 0.036
local terms energy: -82.339794
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -10.127
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: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -279.853716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.853716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.853716 (E_RNA)
where:
Base-Base interactions energy: -180.740
where: short stacking energy: -77.043
Base-Backbone interact. energy: -0.116
local terms energy: -98.998284
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -9.794
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: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -263.743257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.743257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.743257 (E_RNA)
where:
Base-Base interactions energy: -161.787
where: short stacking energy: -68.110
Base-Backbone interact. energy: -2.202
local terms energy: -99.754226
where:
bonds (distance) C4'-P energy: -23.256
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -20.880
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: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -261.815909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.815909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.815909 (E_RNA)
where:
Base-Base interactions energy: -168.019
where: short stacking energy: -70.681
Base-Backbone interact. energy: -0.644
local terms energy: -93.152469
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -122.302446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.302446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.302446 (E_RNA)
where:
Base-Base interactions energy: -37.340
where: short stacking energy: -33.065
Base-Backbone interact. energy: -0.050
local terms energy: -84.912178
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -24.387
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -115.051687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.051687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.051687 (E_RNA)
where:
Base-Base interactions energy: -39.913
where: short stacking energy: -39.913
Base-Backbone interact. energy: -0.043
local terms energy: -75.095752
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -405.132060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.132060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.132060 (E_RNA)
where:
Base-Base interactions energy: -280.957
where: short stacking energy: -111.172
Base-Backbone interact. energy: -0.857
local terms energy: -123.318200
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -32.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -365.584285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.584285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.584285 (E_RNA)
where:
Base-Base interactions energy: -240.289
where: short stacking energy: -97.699
Base-Backbone interact. energy: -0.125
local terms energy: -125.169929
where:
bonds (distance) C4'-P energy: -27.555
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -26.543
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: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -295.988157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.988157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.988157 (E_RNA)
where:
Base-Base interactions energy: -181.211
where: short stacking energy: -94.166
Base-Backbone interact. energy: -0.014
local terms energy: -114.763818
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -29.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -310.851550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.851550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.851550 (E_RNA)
where:
Base-Base interactions energy: -193.896
where: short stacking energy: -107.292
Base-Backbone interact. energy: -0.028
local terms energy: -116.927407
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -25.169
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -26.695
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: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -298.019973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.019973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.019973 (E_RNA)
where:
Base-Base interactions energy: -188.024
where: short stacking energy: -85.894
Base-Backbone interact. energy: -0.463
local terms energy: -109.532089
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -25.646
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -23.606
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: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -267.843063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.843063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.843063 (E_RNA)
where:
Base-Base interactions energy: -151.790
where: short stacking energy: -71.628
Base-Backbone interact. energy: -0.110
local terms energy: -115.943400
where:
bonds (distance) C4'-P energy: -27.795
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -14.160
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: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -264.745212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.745212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.745212 (E_RNA)
where:
Base-Base interactions energy: -164.814
where: short stacking energy: -70.319
Base-Backbone interact. energy: -0.004
local terms energy: -99.927885
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -25.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -257.103281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.103281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.103281 (E_RNA)
where:
Base-Base interactions energy: -163.790
where: short stacking energy: -75.227
Base-Backbone interact. energy: 0.317
local terms energy: -93.630469
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -115.512721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.512721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.512721 (E_RNA)
where:
Base-Base interactions energy: -40.457
where: short stacking energy: -39.711
Base-Backbone interact. energy: -0.245
local terms energy: -74.810572
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -114.940467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.940467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.940467 (E_RNA)
where:
Base-Base interactions energy: -41.402
where: short stacking energy: -34.464
Base-Backbone interact. energy: -0.436
local terms energy: -73.102438
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -24.031
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -398.530696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.530696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.530696 (E_RNA)
where:
Base-Base interactions energy: -275.878
where: short stacking energy: -106.911
Base-Backbone interact. energy: -0.612
local terms energy: -122.041053
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -23.636
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -31.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -361.277307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.277307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.277307 (E_RNA)
where:
Base-Base interactions energy: -244.184
where: short stacking energy: -111.785
Base-Backbone interact. energy: -0.055
local terms energy: -117.037996
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -30.829
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: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -296.197751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.197751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.197751 (E_RNA)
where:
Base-Base interactions energy: -189.099
where: short stacking energy: -89.660
Base-Backbone interact. energy: 2.959
local terms energy: -110.057771
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -28.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -292.116693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.116693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.116693 (E_RNA)
where:
Base-Base interactions energy: -188.579
where: short stacking energy: -96.902
Base-Backbone interact. energy: -0.058
local terms energy: -103.479370
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -24.073
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -28.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -295.938188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.938188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.938188 (E_RNA)
where:
Base-Base interactions energy: -200.320
where: short stacking energy: -89.906
Base-Backbone interact. energy: 2.164
local terms energy: -97.782209
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -296.134034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.134034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.134034 (E_RNA)
where:
Base-Base interactions energy: -182.060
where: short stacking energy: -97.958
Base-Backbone interact. energy: -0.531
local terms energy: -113.543444
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -28.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -272.396740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.396740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.396740 (E_RNA)
where:
Base-Base interactions energy: -168.799
where: short stacking energy: -82.139
Base-Backbone interact. energy: -0.093
local terms energy: -103.504835
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -270.935557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.935557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.935557 (E_RNA)
where:
Base-Base interactions energy: -177.206
where: short stacking energy: -73.335
Base-Backbone interact. energy: -0.324
local terms energy: -93.405942
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -127.817277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.817277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.817277 (E_RNA)
where:
Base-Base interactions energy: -53.983
where: short stacking energy: -31.536
Base-Backbone interact. energy: 0.125
local terms energy: -73.959497
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -14.211
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: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -107.054015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.054015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.054015 (E_RNA)
where:
Base-Base interactions energy: -43.513
where: short stacking energy: -35.759
Base-Backbone interact. energy: -0.531
local terms energy: -63.010392
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -18.056
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -9.909
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: 1, replica: 10
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -400.143130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.143130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.143130 (E_RNA)
where:
Base-Base interactions energy: -278.722
where: short stacking energy: -109.660
Base-Backbone interact. energy: 1.760
local terms energy: -123.181642
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -29.020
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: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -363.723807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.723807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.723807 (E_RNA)
where:
Base-Base interactions energy: -241.225
where: short stacking energy: -103.074
Base-Backbone interact. energy: -0.140
local terms energy: -122.358569
where:
bonds (distance) C4'-P energy: -27.729
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -317.004393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.004393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.004393 (E_RNA)
where:
Base-Base interactions energy: -201.666
where: short stacking energy: -97.364
Base-Backbone interact. energy: -0.125
local terms energy: -115.213463
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -24.320
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: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -281.694987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.694987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.694987 (E_RNA)
where:
Base-Base interactions energy: -187.437
where: short stacking energy: -82.749
Base-Backbone interact. energy: 0.581
local terms energy: -94.838465
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -299.997876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.997876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.997876 (E_RNA)
where:
Base-Base interactions energy: -191.634
where: short stacking energy: -82.783
Base-Backbone interact. energy: -0.058
local terms energy: -108.305648
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -270.660852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.660852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.660852 (E_RNA)
where:
Base-Base interactions energy: -170.998
where: short stacking energy: -73.448
Base-Backbone interact. energy: -1.390
local terms energy: -98.272234
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -22.955
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: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -282.146552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.146552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.146552 (E_RNA)
where:
Base-Base interactions energy: -179.552
where: short stacking energy: -85.679
Base-Backbone interact. energy: -0.050
local terms energy: -102.544740
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -241.321210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.321210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.321210 (E_RNA)
where:
Base-Base interactions energy: -152.075
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.186
local terms energy: -89.060602
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -14.067
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: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -123.539384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.539384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.539384 (E_RNA)
where:
Base-Base interactions energy: -38.809
where: short stacking energy: -37.748
Base-Backbone interact. energy: -0.351
local terms energy: -84.379322
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -9.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -117.062585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.062585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.062585 (E_RNA)
where:
Base-Base interactions energy: -46.430
where: short stacking energy: -44.476
Base-Backbone interact. energy: 0.322
local terms energy: -70.954894
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -4.146
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: 10
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -403.607756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.607756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.607756 (E_RNA)
where:
Base-Base interactions energy: -276.046
where: short stacking energy: -116.273
Base-Backbone interact. energy: -0.214
local terms energy: -127.346989
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -21.690
tors. eta vs tors. theta energy: -31.842
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: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -330.531033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.531033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.531033 (E_RNA)
where:
Base-Base interactions energy: -205.600
where: short stacking energy: -94.553
Base-Backbone interact. energy: -0.046
local terms energy: -124.884865
where:
bonds (distance) C4'-P energy: -25.863
bonds (distance) P-C4' energy: -28.494
flat angles C4'-P-C4' energy: -28.336
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -355.028245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.028245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.028245 (E_RNA)
where:
Base-Base interactions energy: -246.715
where: short stacking energy: -110.671
Base-Backbone interact. energy: -0.375
local terms energy: -107.938460
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -29.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -300.860110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.860110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.860110 (E_RNA)
where:
Base-Base interactions energy: -196.898
where: short stacking energy: -89.566
Base-Backbone interact. energy: -0.222
local terms energy: -103.740256
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -22.615
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -14.591
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: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -275.148006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.148006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.148006 (E_RNA)
where:
Base-Base interactions energy: -169.821
where: short stacking energy: -85.576
Base-Backbone interact. energy: -0.151
local terms energy: -105.175806
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -282.837720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.837720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.837720 (E_RNA)
where:
Base-Base interactions energy: -187.038
where: short stacking energy: -81.516
Base-Backbone interact. energy: -0.142
local terms energy: -95.657631
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -13.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -279.651887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.651887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.651887 (E_RNA)
where:
Base-Base interactions energy: -174.959
where: short stacking energy: -74.747
Base-Backbone interact. energy: 1.641
local terms energy: -106.333375
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -241.922283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.922283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.922283 (E_RNA)
where:
Base-Base interactions energy: -144.896
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.127
local terms energy: -96.899899
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -21.607
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -126.858319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.858319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.858319 (E_RNA)
where:
Base-Base interactions energy: -57.696
where: short stacking energy: -53.513
Base-Backbone interact. energy: -0.310
local terms energy: -68.852580
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -5.929
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: 431
Temperature: 1.350000
Total energy: -106.387021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.387021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.387021 (E_RNA)
where:
Base-Base interactions energy: -42.546
where: short stacking energy: -39.890
Base-Backbone interact. energy: -0.541
local terms energy: -63.299994
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: 3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -402.303740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.303740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.303740 (E_RNA)
where:
Base-Base interactions energy: -274.546
where: short stacking energy: -114.187
Base-Backbone interact. energy: -0.372
local terms energy: -127.385336
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -26.891
flat angles P-C4'-P energy: -19.180
tors. eta vs tors. theta energy: -31.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -321.143185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.143185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.143185 (E_RNA)
where:
Base-Base interactions energy: -202.066
where: short stacking energy: -95.035
Base-Backbone interact. energy: -0.009
local terms energy: -119.067946
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -29.304
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: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -369.097672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.097672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.097672 (E_RNA)
where:
Base-Base interactions energy: -257.298
where: short stacking energy: -103.266
Base-Backbone interact. energy: -0.326
local terms energy: -111.473279
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -29.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -296.668776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.668776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.668776 (E_RNA)
where:
Base-Base interactions energy: -182.742
where: short stacking energy: -83.091
Base-Backbone interact. energy: 1.742
local terms energy: -115.668495
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -299.317618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.317618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.317618 (E_RNA)
where:
Base-Base interactions energy: -196.968
where: short stacking energy: -86.374
Base-Backbone interact. energy: -0.621
local terms energy: -101.728437
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -22.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -267.917214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.917214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.917214 (E_RNA)
where:
Base-Base interactions energy: -167.599
where: short stacking energy: -92.032
Base-Backbone interact. energy: -0.183
local terms energy: -100.135899
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -273.901360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.901360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.901360 (E_RNA)
where:
Base-Base interactions energy: -175.032
where: short stacking energy: -84.799
Base-Backbone interact. energy: -0.125
local terms energy: -98.744799
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -240.468793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.468793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.468793 (E_RNA)
where:
Base-Base interactions energy: -152.844
where: short stacking energy: -66.826
Base-Backbone interact. energy: -0.219
local terms energy: -87.405952
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -15.414
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: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -117.637996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.637996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.637996 (E_RNA)
where:
Base-Base interactions energy: -43.514
where: short stacking energy: -28.895
Base-Backbone interact. energy: -1.016
local terms energy: -73.108010
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: 0.830
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: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -119.111960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.111960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.111960 (E_RNA)
where:
Base-Base interactions energy: -38.917
where: short stacking energy: -36.079
Base-Backbone interact. energy: 0.495
local terms energy: -80.689775
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -27.576
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -19.093
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: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -394.363163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.363163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.363163 (E_RNA)
where:
Base-Base interactions energy: -264.943
where: short stacking energy: -108.094
Base-Backbone interact. energy: 1.294
local terms energy: -130.714283
where:
bonds (distance) C4'-P energy: -26.802
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -32.407
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: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -367.742595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.742595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.742595 (E_RNA)
where:
Base-Base interactions energy: -252.019
where: short stacking energy: -97.615
Base-Backbone interact. energy: -0.370
local terms energy: -115.353652
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -28.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -303.682025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.682025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.682025 (E_RNA)
where:
Base-Base interactions energy: -189.771
where: short stacking energy: -104.584
Base-Backbone interact. energy: -0.011
local terms energy: -113.899832
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -29.399
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -33.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -283.254813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.254813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.254813 (E_RNA)
where:
Base-Base interactions energy: -178.109
where: short stacking energy: -82.906
Base-Backbone interact. energy: -0.868
local terms energy: -104.278190
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -27.685
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -293.479886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.479886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.479886 (E_RNA)
where:
Base-Base interactions energy: -189.906
where: short stacking energy: -82.316
Base-Backbone interact. energy: -0.689
local terms energy: -102.884589
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -264.094195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.094195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.094195 (E_RNA)
where:
Base-Base interactions energy: -159.848
where: short stacking energy: -74.974
Base-Backbone interact. energy: -0.104
local terms energy: -104.141584
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -14.167
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: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -252.739095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.739095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.739095 (E_RNA)
where:
Base-Base interactions energy: -147.193
where: short stacking energy: -62.380
Base-Backbone interact. energy: -0.948
local terms energy: -104.598098
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -26.087
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -237.733844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.733844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.733844 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -59.671
Base-Backbone interact. energy: -0.182
local terms energy: -90.298521
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -11.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -137.192946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.192946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.192946 (E_RNA)
where:
Base-Base interactions energy: -56.971
where: short stacking energy: -36.679
Base-Backbone interact. energy: -1.531
local terms energy: -78.691055
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: 1.273
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: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -118.627641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.627641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.627641 (E_RNA)
where:
Base-Base interactions energy: -45.637
where: short stacking energy: -32.819
Base-Backbone interact. energy: -0.404
local terms energy: -72.586786
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: 4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -394.136434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.136434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.136434 (E_RNA)
where:
Base-Base interactions energy: -277.278
where: short stacking energy: -97.076
Base-Backbone interact. energy: -1.256
local terms energy: -115.602896
where:
bonds (distance) C4'-P energy: -25.911
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -368.016359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.016359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.016359 (E_RNA)
where:
Base-Base interactions energy: -249.017
where: short stacking energy: -103.438
Base-Backbone interact. energy: -1.096
local terms energy: -117.903187
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -23.775
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -31.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -310.544687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.544687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.544687 (E_RNA)
where:
Base-Base interactions energy: -211.104
where: short stacking energy: -93.251
Base-Backbone interact. energy: -0.431
local terms energy: -99.010267
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -306.429242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.429242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.429242 (E_RNA)
where:
Base-Base interactions energy: -194.993
where: short stacking energy: -99.750
Base-Backbone interact. energy: -0.083
local terms energy: -111.352883
where:
bonds (distance) C4'-P energy: -23.872
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -28.281
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: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -275.215505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.215505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.215505 (E_RNA)
where:
Base-Base interactions energy: -177.766
where: short stacking energy: -78.344
Base-Backbone interact. energy: -0.379
local terms energy: -97.070847
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -288.184547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.184547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.184547 (E_RNA)
where:
Base-Base interactions energy: -187.342
where: short stacking energy: -86.237
Base-Backbone interact. energy: -0.283
local terms energy: -100.559915
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -9.493
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: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -245.470365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.470365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.470365 (E_RNA)
where:
Base-Base interactions energy: -156.164
where: short stacking energy: -77.299
Base-Backbone interact. energy: 1.104
local terms energy: -90.410634
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -28.657
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -14.620
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: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -241.523041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.523041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.523041 (E_RNA)
where:
Base-Base interactions energy: -145.105
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.524
local terms energy: -95.894717
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -118.367676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.367676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.367676 (E_RNA)
where:
Base-Base interactions energy: -40.309
where: short stacking energy: -39.105
Base-Backbone interact. energy: -0.289
local terms energy: -77.769026
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: 1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -117.718981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.718981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.718981 (E_RNA)
where:
Base-Base interactions energy: -52.471
where: short stacking energy: -37.426
Base-Backbone interact. energy: -0.521
local terms energy: -64.726680
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -5.537
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: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -401.306075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.306075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.306075 (E_RNA)
where:
Base-Base interactions energy: -281.770
where: short stacking energy: -105.912
Base-Backbone interact. energy: 0.016
local terms energy: -119.551763
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -28.372
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -23.705
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: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -369.769447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.769447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.769447 (E_RNA)
where:
Base-Base interactions energy: -249.556
where: short stacking energy: -102.254
Base-Backbone interact. energy: -0.398
local terms energy: -119.815590
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -28.342
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: 435
Temperature: 1.000000
Total energy: -306.655511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.655511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.655511 (E_RNA)
where:
Base-Base interactions energy: -196.877
where: short stacking energy: -99.796
Base-Backbone interact. energy: -0.442
local terms energy: -109.335648
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -28.999
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -290.063466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.063466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.063466 (E_RNA)
where:
Base-Base interactions energy: -175.192
where: short stacking energy: -82.255
Base-Backbone interact. energy: -0.701
local terms energy: -114.171155
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -25.839
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -25.369
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: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -265.559594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.559594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.559594 (E_RNA)
where:
Base-Base interactions energy: -162.207
where: short stacking energy: -81.654
Base-Backbone interact. energy: 0.131
local terms energy: -103.484210
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -283.505871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.505871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.505871 (E_RNA)
where:
Base-Base interactions energy: -174.851
where: short stacking energy: -83.726
Base-Backbone interact. energy: 0.026
local terms energy: -108.681423
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -278.731765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.731765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.731765 (E_RNA)
where:
Base-Base interactions energy: -188.167
where: short stacking energy: -87.104
Base-Backbone interact. energy: -0.988
local terms energy: -89.576611
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -26.038
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -18.772
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: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -232.605054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.605054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.605054 (E_RNA)
where:
Base-Base interactions energy: -143.833
where: short stacking energy: -55.253
Base-Backbone interact. energy: -1.803
local terms energy: -86.969578
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -8.382
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: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -114.159891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.159891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.159891 (E_RNA)
where:
Base-Base interactions energy: -43.143
where: short stacking energy: -37.187
Base-Backbone interact. energy: 0.207
local terms energy: -71.224240
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -24.548
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -4.624
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: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -112.934070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.934070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.934070 (E_RNA)
where:
Base-Base interactions energy: -39.706
where: short stacking energy: -31.297
Base-Backbone interact. energy: 0.347
local terms energy: -73.575202
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -13.033
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: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -377.315965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.315965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.315965 (E_RNA)
where:
Base-Base interactions energy: -249.352
where: short stacking energy: -100.109
Base-Backbone interact. energy: -0.272
local terms energy: -127.691533
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -26.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -414.165977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.165977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.165977 (E_RNA)
where:
Base-Base interactions energy: -301.601
where: short stacking energy: -112.508
Base-Backbone interact. energy: -0.752
local terms energy: -111.812770
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -30.091
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: 436
Temperature: 1.000000
Total energy: -303.278089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.278089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.278089 (E_RNA)
where:
Base-Base interactions energy: -193.569
where: short stacking energy: -92.727
Base-Backbone interact. energy: -0.080
local terms energy: -109.628984
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: -17.524
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: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -303.093475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.093475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.093475 (E_RNA)
where:
Base-Base interactions energy: -193.236
where: short stacking energy: -90.849
Base-Backbone interact. energy: 2.360
local terms energy: -112.216645
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -25.658
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -289.651244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.651244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.651244 (E_RNA)
where:
Base-Base interactions energy: -182.010
where: short stacking energy: -80.884
Base-Backbone interact. energy: 0.167
local terms energy: -107.807866
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -24.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -269.980789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.980789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.980789 (E_RNA)
where:
Base-Base interactions energy: -167.929
where: short stacking energy: -79.558
Base-Backbone interact. energy: -0.019
local terms energy: -102.032411
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -15.005
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: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -224.656961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.656961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.656961 (E_RNA)
where:
Base-Base interactions energy: -137.495
where: short stacking energy: -64.743
Base-Backbone interact. energy: -1.845
local terms energy: -85.317620
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -265.689255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.689255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.689255 (E_RNA)
where:
Base-Base interactions energy: -169.896
where: short stacking energy: -69.553
Base-Backbone interact. energy: -0.544
local terms energy: -95.249177
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -113.401108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.401108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.401108 (E_RNA)
where:
Base-Base interactions energy: -36.434
where: short stacking energy: -33.679
Base-Backbone interact. energy: -0.498
local terms energy: -76.468550
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: 1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -119.272733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.272733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.272733 (E_RNA)
where:
Base-Base interactions energy: -38.906
where: short stacking energy: -36.449
Base-Backbone interact. energy: -0.442
local terms energy: -79.925022
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -382.096435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.096435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.096435 (E_RNA)
where:
Base-Base interactions energy: -260.295
where: short stacking energy: -101.342
Base-Backbone interact. energy: -0.393
local terms energy: -121.408573
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -27.141
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: -26.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -414.493971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.493971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.493971 (E_RNA)
where:
Base-Base interactions energy: -288.403
where: short stacking energy: -117.547
Base-Backbone interact. energy: 0.463
local terms energy: -126.554814
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -33.902
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: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -315.500710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.500710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.500710 (E_RNA)
where:
Base-Base interactions energy: -204.092
where: short stacking energy: -80.917
Base-Backbone interact. energy: -0.290
local terms energy: -111.118855
where:
bonds (distance) C4'-P energy: -27.007
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -21.711
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: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -285.505067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.505067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.505067 (E_RNA)
where:
Base-Base interactions energy: -181.113
where: short stacking energy: -76.584
Base-Backbone interact. energy: -0.288
local terms energy: -104.103759
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -279.424376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.424376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.424376 (E_RNA)
where:
Base-Base interactions energy: -175.870
where: short stacking energy: -97.666
Base-Backbone interact. energy: -0.163
local terms energy: -103.390797
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -28.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -270.074226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.074226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.074226 (E_RNA)
where:
Base-Base interactions energy: -163.995
where: short stacking energy: -82.756
Base-Backbone interact. energy: -0.374
local terms energy: -105.705183
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -290.829789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.829789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.829789 (E_RNA)
where:
Base-Base interactions energy: -188.638
where: short stacking energy: -84.770
Base-Backbone interact. energy: -1.158
local terms energy: -101.032876
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -254.927077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.927077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.927077 (E_RNA)
where:
Base-Base interactions energy: -162.524
where: short stacking energy: -73.438
Base-Backbone interact. energy: -0.395
local terms energy: -92.007795
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -136.944164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.944164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.944164 (E_RNA)
where:
Base-Base interactions energy: -58.677
where: short stacking energy: -40.521
Base-Backbone interact. energy: 0.270
local terms energy: -78.536216
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: 2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -112.901543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.901543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.901543 (E_RNA)
where:
Base-Base interactions energy: -40.226
where: short stacking energy: -35.691
Base-Backbone interact. energy: -0.693
local terms energy: -71.982070
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -7.710
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: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -416.193483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.193483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.193483 (E_RNA)
where:
Base-Base interactions energy: -291.050
where: short stacking energy: -103.289
Base-Backbone interact. energy: -1.743
local terms energy: -123.400162
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -18.203
tors. eta vs tors. theta energy: -29.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -360.357455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.357455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.357455 (E_RNA)
where:
Base-Base interactions energy: -239.264
where: short stacking energy: -94.138
Base-Backbone interact. energy: -1.129
local terms energy: -119.964728
where:
bonds (distance) C4'-P energy: -26.681
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: -28.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -299.002312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.002312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.002312 (E_RNA)
where:
Base-Base interactions energy: -195.316
where: short stacking energy: -90.236
Base-Backbone interact. energy: -0.365
local terms energy: -103.321455
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -22.748
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -20.264
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: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -275.309998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.309998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.309998 (E_RNA)
where:
Base-Base interactions energy: -172.678
where: short stacking energy: -84.991
Base-Backbone interact. energy: 0.793
local terms energy: -103.425698
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -300.322603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.322603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.322603 (E_RNA)
where:
Base-Base interactions energy: -189.683
where: short stacking energy: -93.535
Base-Backbone interact. energy: -0.233
local terms energy: -110.406131
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -24.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -267.051276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.051276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.051276 (E_RNA)
where:
Base-Base interactions energy: -168.320
where: short stacking energy: -85.598
Base-Backbone interact. energy: 1.521
local terms energy: -100.252359
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -27.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -268.590827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.590827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.590827 (E_RNA)
where:
Base-Base interactions energy: -177.045
where: short stacking energy: -81.650
Base-Backbone interact. energy: -0.681
local terms energy: -90.864650
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -23.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -260.734684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.734684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.734684 (E_RNA)
where:
Base-Base interactions energy: -160.757
where: short stacking energy: -77.189
Base-Backbone interact. energy: 3.249
local terms energy: -103.227252
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -127.554450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.554450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.554450 (E_RNA)
where:
Base-Base interactions energy: -56.639
where: short stacking energy: -31.842
Base-Backbone interact. energy: 0.090
local terms energy: -71.004575
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -4.597
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: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -124.508907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.508907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.508907 (E_RNA)
where:
Base-Base interactions energy: -60.044
where: short stacking energy: -29.409
Base-Backbone interact. energy: -0.371
local terms energy: -64.093598
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: 2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -415.145926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.145926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.145926 (E_RNA)
where:
Base-Base interactions energy: -298.797
where: short stacking energy: -102.195
Base-Backbone interact. energy: -2.075
local terms energy: -114.274113
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -27.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -352.993059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.993059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.993059 (E_RNA)
where:
Base-Base interactions energy: -241.604
where: short stacking energy: -95.587
Base-Backbone interact. energy: -0.249
local terms energy: -111.139924
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -27.693
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -22.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -323.853022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.853022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.853022 (E_RNA)
where:
Base-Base interactions energy: -207.694
where: short stacking energy: -103.783
Base-Backbone interact. energy: -0.316
local terms energy: -115.843798
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -25.025
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: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -302.464002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.464002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.464002 (E_RNA)
where:
Base-Base interactions energy: -205.852
where: short stacking energy: -64.749
Base-Backbone interact. energy: -3.118
local terms energy: -93.493975
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -26.562
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -7.720
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: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -270.987243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.987243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.987243 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -75.931
Base-Backbone interact. energy: -0.114
local terms energy: -111.064660
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -278.522015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.522015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.522015 (E_RNA)
where:
Base-Base interactions energy: -176.907
where: short stacking energy: -73.057
Base-Backbone interact. energy: -0.058
local terms energy: -101.557767
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -245.477461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.477461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.477461 (E_RNA)
where:
Base-Base interactions energy: -155.823
where: short stacking energy: -65.934
Base-Backbone interact. energy: -0.331
local terms energy: -89.323512
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -246.969472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.969472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.969472 (E_RNA)
where:
Base-Base interactions energy: -150.659
where: short stacking energy: -77.456
Base-Backbone interact. energy: 1.449
local terms energy: -97.759019
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -122.973407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.973407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.973407 (E_RNA)
where:
Base-Base interactions energy: -55.138
where: short stacking energy: -52.926
Base-Backbone interact. energy: -0.111
local terms energy: -67.724496
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -4.068
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: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -106.392568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.392568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.392568 (E_RNA)
where:
Base-Base interactions energy: -36.344
where: short stacking energy: -36.202
Base-Backbone interact. energy: -0.256
local terms energy: -69.792750
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: 0.884
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: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -409.685586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.685586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.685586 (E_RNA)
where:
Base-Base interactions energy: -285.451
where: short stacking energy: -111.762
Base-Backbone interact. energy: -0.841
local terms energy: -123.393840
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -32.090
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: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -337.453896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.453896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.453896 (E_RNA)
where:
Base-Base interactions energy: -220.699
where: short stacking energy: -107.061
Base-Backbone interact. energy: -0.107
local terms energy: -116.648821
where:
bonds (distance) C4'-P energy: -26.892
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -27.976
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -29.758
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: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -338.207606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.207606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.207606 (E_RNA)
where:
Base-Base interactions energy: -230.764
where: short stacking energy: -95.849
Base-Backbone interact. energy: -1.813
local terms energy: -105.630968
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -321.057027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.057027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.057027 (E_RNA)
where:
Base-Base interactions energy: -201.891
where: short stacking energy: -100.687
Base-Backbone interact. energy: -0.185
local terms energy: -118.980552
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -28.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -297.840834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.840834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.840834 (E_RNA)
where:
Base-Base interactions energy: -190.779
where: short stacking energy: -98.911
Base-Backbone interact. energy: -0.022
local terms energy: -107.039454
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -29.342
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: 440
Temperature: 1.150000
Total energy: -266.441735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.441735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.441735 (E_RNA)
where:
Base-Base interactions energy: -172.910
where: short stacking energy: -72.727
Base-Backbone interact. energy: 2.085
local terms energy: -95.616144
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -15.956
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: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -258.003692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.003692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.003692 (E_RNA)
where:
Base-Base interactions energy: -162.281
where: short stacking energy: -74.454
Base-Backbone interact. energy: -0.194
local terms energy: -95.528495
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -15.522
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: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -254.618390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.618390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.618390 (E_RNA)
where:
Base-Base interactions energy: -156.245
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.510
local terms energy: -97.863020
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -117.387726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.387726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.387726 (E_RNA)
where:
Base-Base interactions energy: -42.640
where: short stacking energy: -38.250
Base-Backbone interact. energy: -0.575
local terms energy: -74.172606
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -109.576181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.576181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.576181 (E_RNA)
where:
Base-Base interactions energy: -35.161
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.455
local terms energy: -73.960207
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -19.936
tors. eta vs tors. theta energy: 2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -409.988518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.988518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.988518 (E_RNA)
where:
Base-Base interactions energy: -286.998
where: short stacking energy: -114.731
Base-Backbone interact. energy: -2.590
local terms energy: -120.400437
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -28.011
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: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -358.687309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.687309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.687309 (E_RNA)
where:
Base-Base interactions energy: -241.474
where: short stacking energy: -106.171
Base-Backbone interact. energy: -1.507
local terms energy: -115.705999
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -26.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -334.313808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.313808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.313808 (E_RNA)
where:
Base-Base interactions energy: -224.742
where: short stacking energy: -81.553
Base-Backbone interact. energy: -0.820
local terms energy: -108.751640
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -296.662178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.662178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.662178 (E_RNA)
where:
Base-Base interactions energy: -184.683
where: short stacking energy: -88.485
Base-Backbone interact. energy: -0.971
local terms energy: -111.008282
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -25.163
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: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -293.706584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.706584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.706584 (E_RNA)
where:
Base-Base interactions energy: -184.344
where: short stacking energy: -79.483
Base-Backbone interact. energy: -0.410
local terms energy: -108.952870
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -18.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -266.021570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.021570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.021570 (E_RNA)
where:
Base-Base interactions energy: -175.918
where: short stacking energy: -79.997
Base-Backbone interact. energy: -2.685
local terms energy: -87.417991
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -263.691610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.691610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.691610 (E_RNA)
where:
Base-Base interactions energy: -165.866
where: short stacking energy: -67.244
Base-Backbone interact. energy: -0.858
local terms energy: -96.967974
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -7.490
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: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -222.344349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.344349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.344349 (E_RNA)
where:
Base-Base interactions energy: -129.287
where: short stacking energy: -65.575
Base-Backbone interact. energy: -0.109
local terms energy: -92.948817
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -12.260
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: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -118.943416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.943416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.943416 (E_RNA)
where:
Base-Base interactions energy: -51.206
where: short stacking energy: -44.442
Base-Backbone interact. energy: -0.515
local terms energy: -67.222664
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -4.787
tors. eta vs tors. theta energy: 0.987
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: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -123.507998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.507998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.507998 (E_RNA)
where:
Base-Base interactions energy: -37.247
where: short stacking energy: -30.525
Base-Backbone interact. energy: -0.132
local terms energy: -86.129159
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -26.168
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -420.002130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.002130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.002130 (E_RNA)
where:
Base-Base interactions energy: -297.875
where: short stacking energy: -103.554
Base-Backbone interact. energy: -1.941
local terms energy: -120.186898
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -24.960
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -31.443
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: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -361.851355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.851355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.851355 (E_RNA)
where:
Base-Base interactions energy: -236.938
where: short stacking energy: -105.361
Base-Backbone interact. energy: -0.393
local terms energy: -124.521004
where:
bonds (distance) C4'-P energy: -26.835
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -26.957
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -30.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -333.620166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.620166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.620166 (E_RNA)
where:
Base-Base interactions energy: -210.561
where: short stacking energy: -103.415
Base-Backbone interact. energy: -0.723
local terms energy: -122.336137
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -29.692
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -27.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -289.849737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.849737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.849737 (E_RNA)
where:
Base-Base interactions energy: -175.877
where: short stacking energy: -83.231
Base-Backbone interact. energy: -0.218
local terms energy: -113.754737
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -22.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -295.825300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.825300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.825300 (E_RNA)
where:
Base-Base interactions energy: -195.175
where: short stacking energy: -101.139
Base-Backbone interact. energy: -0.678
local terms energy: -99.971494
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -20.477
tors. eta vs tors. theta energy: -22.014
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: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -292.752863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.752863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.752863 (E_RNA)
where:
Base-Base interactions energy: -199.781
where: short stacking energy: -68.937
Base-Backbone interact. energy: -1.132
local terms energy: -91.839691
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -23.618
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -6.274
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: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -270.299915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.299915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.299915 (E_RNA)
where:
Base-Base interactions energy: -172.770
where: short stacking energy: -83.549
Base-Backbone interact. energy: -0.705
local terms energy: -96.825004
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -23.602
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -263.047546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.047546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.047546 (E_RNA)
where:
Base-Base interactions energy: -166.262
where: short stacking energy: -60.869
Base-Backbone interact. energy: -0.090
local terms energy: -96.695302
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -131.726201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.726201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.726201 (E_RNA)
where:
Base-Base interactions energy: -44.175
where: short stacking energy: -44.175
Base-Backbone interact. energy: -0.137
local terms energy: -87.413263
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -25.796
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -109.703869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.703869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.703869 (E_RNA)
where:
Base-Base interactions energy: -38.082
where: short stacking energy: -30.206
Base-Backbone interact. energy: 1.088
local terms energy: -72.709969
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: 1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -417.142085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.142085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.142085 (E_RNA)
where:
Base-Base interactions energy: -286.923
where: short stacking energy: -105.588
Base-Backbone interact. energy: -2.206
local terms energy: -128.013590
where:
bonds (distance) C4'-P energy: -24.517
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -27.396
flat angles P-C4'-P energy: -20.449
tors. eta vs tors. theta energy: -29.315
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: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -365.544959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.544959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.544959 (E_RNA)
where:
Base-Base interactions energy: -243.501
where: short stacking energy: -111.043
Base-Backbone interact. energy: -0.992
local terms energy: -121.052000
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -32.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -326.448066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.448066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.448066 (E_RNA)
where:
Base-Base interactions energy: -217.300
where: short stacking energy: -96.899
Base-Backbone interact. energy: 1.669
local terms energy: -110.816461
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -25.668
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: 443
Temperature: 1.050000
Total energy: -333.650731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.650731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.650731 (E_RNA)
where:
Base-Base interactions energy: -228.912
where: short stacking energy: -95.256
Base-Backbone interact. energy: -1.005
local terms energy: -103.733770
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -25.556
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -21.907
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: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -279.178123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.178123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.178123 (E_RNA)
where:
Base-Base interactions energy: -169.157
where: short stacking energy: -72.589
Base-Backbone interact. energy: -0.101
local terms energy: -109.919754
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -26.110
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -265.680343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.680343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.680343 (E_RNA)
where:
Base-Base interactions energy: -176.091
where: short stacking energy: -76.769
Base-Backbone interact. energy: 0.777
local terms energy: -90.366250
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -11.822
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: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -262.378148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.378148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.378148 (E_RNA)
where:
Base-Base interactions energy: -170.772
where: short stacking energy: -67.711
Base-Backbone interact. energy: -0.435
local terms energy: -91.171313
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -247.294713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.294713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.294713 (E_RNA)
where:
Base-Base interactions energy: -154.105
where: short stacking energy: -70.509
Base-Backbone interact. energy: -1.659
local terms energy: -91.531224
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -121.822025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.822025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.822025 (E_RNA)
where:
Base-Base interactions energy: -47.781
where: short stacking energy: -40.126
Base-Backbone interact. energy: -0.533
local terms energy: -73.508487
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -121.316731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.316731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.316731 (E_RNA)
where:
Base-Base interactions energy: -44.382
where: short stacking energy: -33.148
Base-Backbone interact. energy: -1.402
local terms energy: -75.532069
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -2.789
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: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -428.572874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.572874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.572874 (E_RNA)
where:
Base-Base interactions energy: -307.924
where: short stacking energy: -106.464
Base-Backbone interact. energy: -1.823
local terms energy: -118.825812
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -19.473
tors. eta vs tors. theta energy: -27.038
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: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -351.423260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.423260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.423260 (E_RNA)
where:
Base-Base interactions energy: -238.584
where: short stacking energy: -96.787
Base-Backbone interact. energy: -2.442
local terms energy: -110.397246
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -322.257916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.257916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.257916 (E_RNA)
where:
Base-Base interactions energy: -204.441
where: short stacking energy: -91.505
Base-Backbone interact. energy: -0.029
local terms energy: -117.788401
where:
bonds (distance) C4'-P energy: -23.971
bonds (distance) P-C4' energy: -24.475
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -29.273
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: 444
Temperature: 1.050000
Total energy: -348.371752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.371752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.371752 (E_RNA)
where:
Base-Base interactions energy: -241.699
where: short stacking energy: -93.751
Base-Backbone interact. energy: -0.782
local terms energy: -105.890423
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -23.391
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: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -302.166785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.166785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.166785 (E_RNA)
where:
Base-Base interactions energy: -189.095
where: short stacking energy: -79.934
Base-Backbone interact. energy: -0.572
local terms energy: -112.499469
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -24.819
tors. eta vs tors. theta energy: -16.465
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: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -282.437650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.437650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.437650 (E_RNA)
where:
Base-Base interactions energy: -182.934
where: short stacking energy: -92.294
Base-Backbone interact. energy: -0.315
local terms energy: -99.189241
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -27.204
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: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -278.937000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.937000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.937000 (E_RNA)
where:
Base-Base interactions energy: -184.297
where: short stacking energy: -92.521
Base-Backbone interact. energy: -0.444
local terms energy: -94.196174
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -21.292
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: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -250.544720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.544720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.544720 (E_RNA)
where:
Base-Base interactions energy: -148.820
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.219
local terms energy: -101.505119
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -122.053723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.053723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.053723 (E_RNA)
where:
Base-Base interactions energy: -47.844
where: short stacking energy: -31.683
Base-Backbone interact. energy: 0.668
local terms energy: -74.877567
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -12.371
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: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -103.467579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.467579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.467579 (E_RNA)
where:
Base-Base interactions energy: -33.155
where: short stacking energy: -30.976
Base-Backbone interact. energy: 0.979
local terms energy: -71.291741
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: 5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -401.289909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.289909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.289909 (E_RNA)
where:
Base-Base interactions energy: -288.923
where: short stacking energy: -104.607
Base-Backbone interact. energy: 1.297
local terms energy: -113.663875
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -23.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -352.961027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.961027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.961027 (E_RNA)
where:
Base-Base interactions energy: -242.044
where: short stacking energy: -104.363
Base-Backbone interact. energy: -1.872
local terms energy: -109.045018
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -24.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -312.066764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.066764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.066764 (E_RNA)
where:
Base-Base interactions energy: -201.369
where: short stacking energy: -91.010
Base-Backbone interact. energy: -0.128
local terms energy: -110.569920
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -361.239418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.239418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.239418 (E_RNA)
where:
Base-Base interactions energy: -246.451
where: short stacking energy: -94.182
Base-Backbone interact. energy: -1.875
local terms energy: -112.913393
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -19.075
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: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -294.142635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.142635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.142635 (E_RNA)
where:
Base-Base interactions energy: -191.664
where: short stacking energy: -84.365
Base-Backbone interact. energy: -0.527
local terms energy: -101.951639
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -21.080
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: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -296.238515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.238515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.238515 (E_RNA)
where:
Base-Base interactions energy: -188.231
where: short stacking energy: -79.500
Base-Backbone interact. energy: -1.071
local terms energy: -106.935851
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -254.202774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.202774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.202774 (E_RNA)
where:
Base-Base interactions energy: -150.176
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.341
local terms energy: -103.685530
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -233.789784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.789784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.789784 (E_RNA)
where:
Base-Base interactions energy: -150.718
where: short stacking energy: -60.804
Base-Backbone interact. energy: 0.864
local terms energy: -83.935353
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -21.522
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: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -115.345697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.345697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.345697 (E_RNA)
where:
Base-Base interactions energy: -35.913
where: short stacking energy: -35.829
Base-Backbone interact. energy: -0.216
local terms energy: -79.216281
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -137.770814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.770814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.770814 (E_RNA)
where:
Base-Base interactions energy: -61.808
where: short stacking energy: -43.955
Base-Backbone interact. energy: 0.667
local terms energy: -76.630010
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -5.377
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: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -401.888196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.888196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.888196 (E_RNA)
where:
Base-Base interactions energy: -279.630
where: short stacking energy: -98.885
Base-Backbone interact. energy: -2.440
local terms energy: -119.818940
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -28.453
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -29.271
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: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -370.525748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.525748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.525748 (E_RNA)
where:
Base-Base interactions energy: -243.600
where: short stacking energy: -108.493
Base-Backbone interact. energy: -0.540
local terms energy: -126.386349
where:
bonds (distance) C4'-P energy: -27.375
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -26.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -358.668146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.668146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.668146 (E_RNA)
where:
Base-Base interactions energy: -259.403
where: short stacking energy: -92.213
Base-Backbone interact. energy: -0.778
local terms energy: -98.487095
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -16.895
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: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -302.345019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.345019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.345019 (E_RNA)
where:
Base-Base interactions energy: -191.537
where: short stacking energy: -94.098
Base-Backbone interact. energy: -0.004
local terms energy: -110.803834
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -26.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -292.757004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.757004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.757004 (E_RNA)
where:
Base-Base interactions energy: -196.682
where: short stacking energy: -84.333
Base-Backbone interact. energy: -0.166
local terms energy: -95.909386
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -16.245
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: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -271.801254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.801254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.801254 (E_RNA)
where:
Base-Base interactions energy: -177.849
where: short stacking energy: -81.151
Base-Backbone interact. energy: -0.409
local terms energy: -93.543156
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -256.465842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.465842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.465842 (E_RNA)
where:
Base-Base interactions energy: -174.697
where: short stacking energy: -73.731
Base-Backbone interact. energy: -0.829
local terms energy: -80.939587
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -252.326135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.326135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.326135 (E_RNA)
where:
Base-Base interactions energy: -174.073
where: short stacking energy: -74.689
Base-Backbone interact. energy: 3.149
local terms energy: -81.402748
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -16.427
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: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -115.356088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.356088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.356088 (E_RNA)
where:
Base-Base interactions energy: -38.173
where: short stacking energy: -31.906
Base-Backbone interact. energy: 0.141
local terms energy: -77.323771
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -118.679558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.679558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.679558 (E_RNA)
where:
Base-Base interactions energy: -45.646
where: short stacking energy: -33.975
Base-Backbone interact. energy: -0.236
local terms energy: -72.797316
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -399.165276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.165276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.165276 (E_RNA)
where:
Base-Base interactions energy: -267.830
where: short stacking energy: -100.744
Base-Backbone interact. energy: -1.712
local terms energy: -129.623637
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -26.987
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -28.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -356.100102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.100102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.100102 (E_RNA)
where:
Base-Base interactions energy: -238.242
where: short stacking energy: -104.497
Base-Backbone interact. energy: -2.060
local terms energy: -115.797841
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -26.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -365.330449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.330449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.330449 (E_RNA)
where:
Base-Base interactions energy: -261.099
where: short stacking energy: -98.591
Base-Backbone interact. energy: -0.120
local terms energy: -104.111223
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -28.431
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -24.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -322.171656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.171656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.171656 (E_RNA)
where:
Base-Base interactions energy: -209.663
where: short stacking energy: -93.613
Base-Backbone interact. energy: -0.083
local terms energy: -112.425126
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -29.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -308.311231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.311231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.311231 (E_RNA)
where:
Base-Base interactions energy: -193.469
where: short stacking energy: -90.279
Base-Backbone interact. energy: -0.090
local terms energy: -114.752438
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -26.180
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -29.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -270.906972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.906972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.906972 (E_RNA)
where:
Base-Base interactions energy: -170.372
where: short stacking energy: -83.123
Base-Backbone interact. energy: -0.803
local terms energy: -99.732170
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -29.719
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -262.486864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.486864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.486864 (E_RNA)
where:
Base-Base interactions energy: -168.293
where: short stacking energy: -74.902
Base-Backbone interact. energy: -0.554
local terms energy: -93.639888
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -245.162328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.162328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.162328 (E_RNA)
where:
Base-Base interactions energy: -152.073
where: short stacking energy: -69.760
Base-Backbone interact. energy: -0.237
local terms energy: -92.852497
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -129.620639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.620639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.620639 (E_RNA)
where:
Base-Base interactions energy: -46.626
where: short stacking energy: -33.332
Base-Backbone interact. energy: -0.124
local terms energy: -82.870688
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -127.160634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.160634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.160634 (E_RNA)
where:
Base-Base interactions energy: -45.527
where: short stacking energy: -38.024
Base-Backbone interact. energy: -0.286
local terms energy: -81.346936
where:
bonds (distance) C4'-P energy: -23.886
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -401.524736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.524736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.524736 (E_RNA)
where:
Base-Base interactions energy: -282.366
where: short stacking energy: -107.437
Base-Backbone interact. energy: -1.473
local terms energy: -117.685850
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -25.935
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -28.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -356.417762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.417762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.417762 (E_RNA)
where:
Base-Base interactions energy: -247.522
where: short stacking energy: -106.093
Base-Backbone interact. energy: -1.200
local terms energy: -107.696615
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -27.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -381.100470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.100470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.100470 (E_RNA)
where:
Base-Base interactions energy: -265.456
where: short stacking energy: -99.123
Base-Backbone interact. energy: 0.283
local terms energy: -115.926743
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -25.899
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -20.316
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: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -297.678589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.678589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.678589 (E_RNA)
where:
Base-Base interactions energy: -188.896
where: short stacking energy: -81.509
Base-Backbone interact. energy: 0.105
local terms energy: -108.887865
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.841
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -293.882969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.882969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.882969 (E_RNA)
where:
Base-Base interactions energy: -180.334
where: short stacking energy: -106.619
Base-Backbone interact. energy: -0.037
local terms energy: -113.512185
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -33.310
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: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -294.643862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.643862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.643862 (E_RNA)
where:
Base-Base interactions energy: -184.588
where: short stacking energy: -89.914
Base-Backbone interact. energy: -0.243
local terms energy: -109.811935
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -24.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -258.346496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.346496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.346496 (E_RNA)
where:
Base-Base interactions energy: -165.602
where: short stacking energy: -74.931
Base-Backbone interact. energy: -0.132
local terms energy: -92.611982
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -14.405
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: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -237.624326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.624326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.624326 (E_RNA)
where:
Base-Base interactions energy: -141.328
where: short stacking energy: -66.981
Base-Backbone interact. energy: -0.093
local terms energy: -96.203332
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -11.917
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: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -126.425672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.425672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.425672 (E_RNA)
where:
Base-Base interactions energy: -56.118
where: short stacking energy: -33.256
Base-Backbone interact. energy: -0.595
local terms energy: -69.713261
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -0.038
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: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -107.982976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.982976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.982976 (E_RNA)
where:
Base-Base interactions energy: -38.409
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.200
local terms energy: -69.374278
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -400.916176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.916176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.916176 (E_RNA)
where:
Base-Base interactions energy: -280.927
where: short stacking energy: -91.308
Base-Backbone interact. energy: -1.758
local terms energy: -118.231241
where:
bonds (distance) C4'-P energy: -26.774
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -25.321
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -26.271
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: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -385.155965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.155965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.155965 (E_RNA)
where:
Base-Base interactions energy: -265.465
where: short stacking energy: -103.382
Base-Backbone interact. energy: -0.886
local terms energy: -118.805224
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -28.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -346.286742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.286742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.286742 (E_RNA)
where:
Base-Base interactions energy: -236.501
where: short stacking energy: -94.175
Base-Backbone interact. energy: -1.117
local terms energy: -108.668232
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -17.256
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: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -310.294140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.294140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.294140 (E_RNA)
where:
Base-Base interactions energy: -196.530
where: short stacking energy: -89.851
Base-Backbone interact. energy: -0.295
local terms energy: -113.470007
where:
bonds (distance) C4'-P energy: -25.689
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -25.638
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: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -283.396210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.396210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.396210 (E_RNA)
where:
Base-Base interactions energy: -173.423
where: short stacking energy: -82.466
Base-Backbone interact. energy: -0.229
local terms energy: -109.744239
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -27.184
flat angles P-C4'-P energy: -15.037
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: 6, replica: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -280.367598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.367598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.367598 (E_RNA)
where:
Base-Base interactions energy: -175.381
where: short stacking energy: -87.516
Base-Backbone interact. energy: -0.123
local terms energy: -104.862855
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -250.793554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.793554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.793554 (E_RNA)
where:
Base-Base interactions energy: -166.505
where: short stacking energy: -75.418
Base-Backbone interact. energy: -1.193
local terms energy: -83.095914
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -239.022395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.022395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.022395 (E_RNA)
where:
Base-Base interactions energy: -151.453
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.250
local terms energy: -87.319195
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -127.073804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.073804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.073804 (E_RNA)
where:
Base-Base interactions energy: -52.356
where: short stacking energy: -40.238
Base-Backbone interact. energy: -0.240
local terms energy: -74.477143
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -9.187
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: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -111.337664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.337664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.337664 (E_RNA)
where:
Base-Base interactions energy: -31.658
where: short stacking energy: -27.750
Base-Backbone interact. energy: -0.573
local terms energy: -79.106507
where:
bonds (distance) C4'-P energy: -27.712
bonds (distance) P-C4' energy: -25.360
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -12.970
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: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -404.882587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.882587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.882587 (E_RNA)
where:
Base-Base interactions energy: -278.921
where: short stacking energy: -109.479
Base-Backbone interact. energy: -1.748
local terms energy: -124.213631
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -26.782
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: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -393.675049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.675049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.675049 (E_RNA)
where:
Base-Base interactions energy: -277.152
where: short stacking energy: -104.347
Base-Backbone interact. energy: 1.377
local terms energy: -117.899922
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -27.099
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -28.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -327.260262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.260262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.260262 (E_RNA)
where:
Base-Base interactions energy: -217.860
where: short stacking energy: -104.229
Base-Backbone interact. energy: -1.668
local terms energy: -107.732235
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -22.793
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: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -298.537879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.537879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.537879 (E_RNA)
where:
Base-Base interactions energy: -190.038
where: short stacking energy: -106.936
Base-Backbone interact. energy: -0.015
local terms energy: -108.485075
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -23.531
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -28.394
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: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -286.247451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.247451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.247451 (E_RNA)
where:
Base-Base interactions energy: -190.126
where: short stacking energy: -89.517
Base-Backbone interact. energy: -0.123
local terms energy: -95.998431
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -24.368
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -21.338
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: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -269.258740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.258740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.258740 (E_RNA)
where:
Base-Base interactions energy: -164.063
where: short stacking energy: -77.668
Base-Backbone interact. energy: -0.409
local terms energy: -104.786507
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -26.050
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -258.375594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.375594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.375594 (E_RNA)
where:
Base-Base interactions energy: -159.314
where: short stacking energy: -69.910
Base-Backbone interact. energy: -0.693
local terms energy: -98.368370
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -14.455
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: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -235.803911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.803911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.803911 (E_RNA)
where:
Base-Base interactions energy: -142.134
where: short stacking energy: -73.634
Base-Backbone interact. energy: -0.267
local terms energy: -93.403451
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -116.581814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.581814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.581814 (E_RNA)
where:
Base-Base interactions energy: -41.747
where: short stacking energy: -38.562
Base-Backbone interact. energy: -1.171
local terms energy: -73.664521
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -133.260426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.260426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.260426 (E_RNA)
where:
Base-Base interactions energy: -59.462
where: short stacking energy: -27.425
Base-Backbone interact. energy: -0.577
local terms energy: -73.220866
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: 2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -416.398457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.398457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.398457 (E_RNA)
where:
Base-Base interactions energy: -287.371
where: short stacking energy: -108.519
Base-Backbone interact. energy: -1.911
local terms energy: -127.116130
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -30.932
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: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -393.511345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.511345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.511345 (E_RNA)
where:
Base-Base interactions energy: -271.863
where: short stacking energy: -107.155
Base-Backbone interact. energy: 0.682
local terms energy: -122.330900
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -19.372
tors. eta vs tors. theta energy: -28.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -337.085853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.085853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.085853 (E_RNA)
where:
Base-Base interactions energy: -223.857
where: short stacking energy: -96.614
Base-Backbone interact. energy: -0.750
local terms energy: -112.479098
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -26.296
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: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -315.514565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.514565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.514565 (E_RNA)
where:
Base-Base interactions energy: -212.060
where: short stacking energy: -94.106
Base-Backbone interact. energy: -1.012
local terms energy: -102.442822
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -19.192
tors. eta vs tors. theta energy: -23.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -306.080915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.080915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.080915 (E_RNA)
where:
Base-Base interactions energy: -196.900
where: short stacking energy: -97.979
Base-Backbone interact. energy: -0.169
local terms energy: -109.011120
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -24.770
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: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -271.500235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.500235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.500235 (E_RNA)
where:
Base-Base interactions energy: -174.476
where: short stacking energy: -75.252
Base-Backbone interact. energy: -0.222
local terms energy: -96.802361
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -24.997
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -12.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -268.649894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.649894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.649894 (E_RNA)
where:
Base-Base interactions energy: -174.379
where: short stacking energy: -81.703
Base-Backbone interact. energy: -0.298
local terms energy: -93.973443
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -25.391
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -16.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -266.320947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.320947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.320947 (E_RNA)
where:
Base-Base interactions energy: -165.018
where: short stacking energy: -82.529
Base-Backbone interact. energy: 0.331
local terms energy: -101.634460
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -15.357
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: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -120.319468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.319468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.319468 (E_RNA)
where:
Base-Base interactions energy: -42.487
where: short stacking energy: -36.464
Base-Backbone interact. energy: 0.109
local terms energy: -77.942023
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -5.951
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: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -133.044779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.044779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.044779 (E_RNA)
where:
Base-Base interactions energy: -47.291
where: short stacking energy: -44.974
Base-Backbone interact. energy: -0.143
local terms energy: -85.610360
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -9.253
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: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -417.724334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.724334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.724334 (E_RNA)
where:
Base-Base interactions energy: -295.114
where: short stacking energy: -106.030
Base-Backbone interact. energy: -1.390
local terms energy: -121.220491
where:
bonds (distance) C4'-P energy: -24.136
bonds (distance) P-C4' energy: -23.967
flat angles C4'-P-C4' energy: -27.841
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -27.573
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: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -382.197672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.197672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.197672 (E_RNA)
where:
Base-Base interactions energy: -270.096
where: short stacking energy: -99.520
Base-Backbone interact. energy: 3.595
local terms energy: -115.696855
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -26.428
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -24.421
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: 452
Temperature: 1.000000
Total energy: -357.837659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.837659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.837659 (E_RNA)
where:
Base-Base interactions energy: -239.799
where: short stacking energy: -79.295
Base-Backbone interact. energy: -1.593
local terms energy: -116.445993
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -25.796
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -322.047201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.047201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.047201 (E_RNA)
where:
Base-Base interactions energy: -210.456
where: short stacking energy: -104.994
Base-Backbone interact. energy: -0.106
local terms energy: -111.485049
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -28.189
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -25.433
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: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -290.290226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.290226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.290226 (E_RNA)
where:
Base-Base interactions energy: -189.316
where: short stacking energy: -87.509
Base-Backbone interact. energy: -1.404
local terms energy: -99.570436
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -23.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -266.410278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.410278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.410278 (E_RNA)
where:
Base-Base interactions energy: -168.676
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.092
local terms energy: -97.641920
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -21.769
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -243.959541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.959541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.959541 (E_RNA)
where:
Base-Base interactions energy: -146.387
where: short stacking energy: -73.903
Base-Backbone interact. energy: 0.110
local terms energy: -97.681967
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -257.786439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.786439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.786439 (E_RNA)
where:
Base-Base interactions energy: -167.837
where: short stacking energy: -72.796
Base-Backbone interact. energy: -0.278
local terms energy: -89.671353
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -112.465676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.465676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.465676 (E_RNA)
where:
Base-Base interactions energy: -41.887
where: short stacking energy: -34.186
Base-Backbone interact. energy: 0.197
local terms energy: -70.775033
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: 4.650
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: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -116.016575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.016575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.016575 (E_RNA)
where:
Base-Base interactions energy: -44.839
where: short stacking energy: -30.288
Base-Backbone interact. energy: -0.607
local terms energy: -70.570801
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -411.256079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.256079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.256079 (E_RNA)
where:
Base-Base interactions energy: -288.802
where: short stacking energy: -113.678
Base-Backbone interact. energy: -1.197
local terms energy: -121.257184
where:
bonds (distance) C4'-P energy: -25.178
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -28.146
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -28.796
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: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -377.906757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.906757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.906757 (E_RNA)
where:
Base-Base interactions energy: -267.966
where: short stacking energy: -96.935
Base-Backbone interact. energy: -0.130
local terms energy: -109.811503
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -362.203867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.203867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.203867 (E_RNA)
where:
Base-Base interactions energy: -247.791
where: short stacking energy: -99.998
Base-Backbone interact. energy: -1.727
local terms energy: -112.686352
where:
bonds (distance) C4'-P energy: -25.303
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -18.757
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -305.047716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.047716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.047716 (E_RNA)
where:
Base-Base interactions energy: -197.676
where: short stacking energy: -97.010
Base-Backbone interact. energy: -0.166
local terms energy: -107.205395
where:
bonds (distance) C4'-P energy: -24.550
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -25.116
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -25.871
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: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -283.684839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.684839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.684839 (E_RNA)
where:
Base-Base interactions energy: -187.488
where: short stacking energy: -83.113
Base-Backbone interact. energy: 0.988
local terms energy: -97.185147
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -272.719437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.719437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.719437 (E_RNA)
where:
Base-Base interactions energy: -168.857
where: short stacking energy: -80.984
Base-Backbone interact. energy: -0.241
local terms energy: -103.620945
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -246.223865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.223865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.223865 (E_RNA)
where:
Base-Base interactions energy: -148.160
where: short stacking energy: -64.394
Base-Backbone interact. energy: -1.504
local terms energy: -96.560086
where:
bonds (distance) C4'-P energy: -22.789
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -259.633141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.633141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.633141 (E_RNA)
where:
Base-Base interactions energy: -160.960
where: short stacking energy: -66.594
Base-Backbone interact. energy: -0.226
local terms energy: -98.447104
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -24.696
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -13.664
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: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -122.243676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.243676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.243676 (E_RNA)
where:
Base-Base interactions energy: -45.242
where: short stacking energy: -42.346
Base-Backbone interact. energy: 0.257
local terms energy: -77.258965
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -3.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -119.309455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.309455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.309455 (E_RNA)
where:
Base-Base interactions energy: -32.076
where: short stacking energy: -27.404
Base-Backbone interact. energy: 0.981
local terms energy: -88.214193
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -27.629
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -0.124
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: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -397.734955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.734955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.734955 (E_RNA)
where:
Base-Base interactions energy: -282.874
where: short stacking energy: -106.956
Base-Backbone interact. energy: -2.125
local terms energy: -112.735707
where:
bonds (distance) C4'-P energy: -23.754
bonds (distance) P-C4' energy: -26.881
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -24.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -382.467348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.467348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.467348 (E_RNA)
where:
Base-Base interactions energy: -271.668
where: short stacking energy: -95.093
Base-Backbone interact. energy: -0.024
local terms energy: -110.775682
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -21.232
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: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -339.346221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.346221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.346221 (E_RNA)
where:
Base-Base interactions energy: -230.455
where: short stacking energy: -107.113
Base-Backbone interact. energy: -0.676
local terms energy: -108.215236
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -303.040014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.040014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.040014 (E_RNA)
where:
Base-Base interactions energy: -182.108
where: short stacking energy: -92.901
Base-Backbone interact. energy: 0.726
local terms energy: -121.658599
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -28.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -296.625362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.625362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.625362 (E_RNA)
where:
Base-Base interactions energy: -189.017
where: short stacking energy: -83.407
Base-Backbone interact. energy: -0.708
local terms energy: -106.899562
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -28.336
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -16.924
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: 454
Temperature: 1.150000
Total energy: -273.575420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.575420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.575420 (E_RNA)
where:
Base-Base interactions energy: -170.894
where: short stacking energy: -84.953
Base-Backbone interact. energy: -0.158
local terms energy: -102.523498
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -23.985
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -258.475111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.475111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.475111 (E_RNA)
where:
Base-Base interactions energy: -160.033
where: short stacking energy: -76.620
Base-Backbone interact. energy: -0.815
local terms energy: -97.627326
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -202.272397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.272397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.272397 (E_RNA)
where:
Base-Base interactions energy: -119.968
where: short stacking energy: -58.357
Base-Backbone interact. energy: 0.662
local terms energy: -82.967038
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -134.847503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.847503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.847503 (E_RNA)
where:
Base-Base interactions energy: -61.644
where: short stacking energy: -44.845
Base-Backbone interact. energy: -0.233
local terms energy: -72.970880
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -11.446
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: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -119.019150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.019150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.019150 (E_RNA)
where:
Base-Base interactions energy: -37.258
where: short stacking energy: -36.092
Base-Backbone interact. energy: -0.287
local terms energy: -81.474120
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -7.494
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: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -407.964153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.964153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.964153 (E_RNA)
where:
Base-Base interactions energy: -279.592
where: short stacking energy: -110.695
Base-Backbone interact. energy: -1.418
local terms energy: -126.954808
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -32.930
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: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -388.285074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.285074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.285074 (E_RNA)
where:
Base-Base interactions energy: -266.990
where: short stacking energy: -100.598
Base-Backbone interact. energy: -0.092
local terms energy: -121.202845
where:
bonds (distance) C4'-P energy: -26.083
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -21.943
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: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -356.283688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.283688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.283688 (E_RNA)
where:
Base-Base interactions energy: -247.073
where: short stacking energy: -90.751
Base-Backbone interact. energy: -0.905
local terms energy: -108.304866
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -14.671
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: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -275.054206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.054206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.054206 (E_RNA)
where:
Base-Base interactions energy: -174.457
where: short stacking energy: -82.327
Base-Backbone interact. energy: -0.211
local terms energy: -100.385853
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -282.944459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.944459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.944459 (E_RNA)
where:
Base-Base interactions energy: -173.508
where: short stacking energy: -88.179
Base-Backbone interact. energy: 1.553
local terms energy: -110.989509
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -264.099064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.099064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.099064 (E_RNA)
where:
Base-Base interactions energy: -163.542
where: short stacking energy: -72.249
Base-Backbone interact. energy: -0.224
local terms energy: -100.332273
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -22.221
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: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -251.898555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.898555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.898555 (E_RNA)
where:
Base-Base interactions energy: -153.633
where: short stacking energy: -77.695
Base-Backbone interact. energy: -0.507
local terms energy: -97.759317
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -20.583
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -138.644494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.644494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.644494 (E_RNA)
where:
Base-Base interactions energy: -59.577
where: short stacking energy: -50.838
Base-Backbone interact. energy: 1.211
local terms energy: -80.278379
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -10.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -185.064372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.064372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.064372 (E_RNA)
where:
Base-Base interactions energy: -103.346
where: short stacking energy: -41.435
Base-Backbone interact. energy: -0.411
local terms energy: -81.307257
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -15.606
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: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -120.699554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.699554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.699554 (E_RNA)
where:
Base-Base interactions energy: -42.424
where: short stacking energy: -42.424
Base-Backbone interact. energy: 2.549
local terms energy: -80.824324
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -12.791
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: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -407.010300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.010300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.010300 (E_RNA)
where:
Base-Base interactions energy: -290.010
where: short stacking energy: -110.686
Base-Backbone interact. energy: -1.066
local terms energy: -115.934607
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -24.941
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -32.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -389.632473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.632473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.632473 (E_RNA)
where:
Base-Base interactions energy: -281.981
where: short stacking energy: -105.538
Base-Backbone interact. energy: -0.088
local terms energy: -107.563884
where:
bonds (distance) C4'-P energy: -26.053
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -18.071
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -339.384566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.384566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.384566 (E_RNA)
where:
Base-Base interactions energy: -232.254
where: short stacking energy: -88.547
Base-Backbone interact. energy: -0.561
local terms energy: -106.569328
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -27.575
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -282.809184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.809184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.809184 (E_RNA)
where:
Base-Base interactions energy: -175.018
where: short stacking energy: -76.953
Base-Backbone interact. energy: -0.417
local terms energy: -107.374230
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -25.689
flat angles C4'-P-C4' energy: -23.014
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -18.700
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: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -275.300273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.300273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.300273 (E_RNA)
where:
Base-Base interactions energy: -172.005
where: short stacking energy: -82.996
Base-Backbone interact. energy: -0.757
local terms energy: -102.538235
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -20.853
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: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -267.817209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.817209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.817209 (E_RNA)
where:
Base-Base interactions energy: -169.721
where: short stacking energy: -82.218
Base-Backbone interact. energy: -0.036
local terms energy: -98.060648
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -22.011
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: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -260.374832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.374832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.374832 (E_RNA)
where:
Base-Base interactions energy: -168.390
where: short stacking energy: -74.295
Base-Backbone interact. energy: -0.632
local terms energy: -91.353055
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -22.591
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: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -120.243372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.243372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.243372 (E_RNA)
where:
Base-Base interactions energy: -31.014
where: short stacking energy: -25.276
Base-Backbone interact. energy: -1.364
local terms energy: -87.864628
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -10.833
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: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -249.348612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.348612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.348612 (E_RNA)
where:
Base-Base interactions energy: -149.103
where: short stacking energy: -79.442
Base-Backbone interact. energy: -0.059
local terms energy: -100.187145
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -21.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -116.702389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.702389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.702389 (E_RNA)
where:
Base-Base interactions energy: -52.486
where: short stacking energy: -38.411
Base-Backbone interact. energy: -0.238
local terms energy: -63.978046
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -4.595
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: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -416.365249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.365249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.365249 (E_RNA)
where:
Base-Base interactions energy: -285.573
where: short stacking energy: -108.650
Base-Backbone interact. energy: -1.664
local terms energy: -129.128574
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -23.016
tors. eta vs tors. theta energy: -31.182
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: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -395.480083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.480083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.480083 (E_RNA)
where:
Base-Base interactions energy: -277.954
where: short stacking energy: -105.290
Base-Backbone interact. energy: -1.034
local terms energy: -116.492589
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -27.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -340.195380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.195380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.195380 (E_RNA)
where:
Base-Base interactions energy: -234.863
where: short stacking energy: -96.684
Base-Backbone interact. energy: 2.038
local terms energy: -107.370034
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -27.029
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -306.793853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.793853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.793853 (E_RNA)
where:
Base-Base interactions energy: -196.746
where: short stacking energy: -97.304
Base-Backbone interact. energy: -0.395
local terms energy: -109.652484
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -27.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -284.114847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.114847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.114847 (E_RNA)
where:
Base-Base interactions energy: -175.947
where: short stacking energy: -72.261
Base-Backbone interact. energy: 0.524
local terms energy: -108.691678
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -28.408
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -272.542943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.542943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.542943 (E_RNA)
where:
Base-Base interactions energy: -165.673
where: short stacking energy: -81.197
Base-Backbone interact. energy: -0.730
local terms energy: -106.139789
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -278.949528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.949528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.949528 (E_RNA)
where:
Base-Base interactions energy: -182.911
where: short stacking energy: -87.676
Base-Backbone interact. energy: 1.096
local terms energy: -97.133840
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -19.591
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: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -244.191181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.191181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.191181 (E_RNA)
where:
Base-Base interactions energy: -147.730
where: short stacking energy: -62.974
Base-Backbone interact. energy: -0.423
local terms energy: -96.037977
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -120.101791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.101791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.101791 (E_RNA)
where:
Base-Base interactions energy: -42.037
where: short stacking energy: -41.679
Base-Backbone interact. energy: -0.117
local terms energy: -77.947239
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -4.806
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: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -129.313108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.313108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.313108 (E_RNA)
where:
Base-Base interactions energy: -54.118
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.250
local terms energy: -74.944380
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: 2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -406.531893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.531893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.531893 (E_RNA)
where:
Base-Base interactions energy: -288.932
where: short stacking energy: -112.494
Base-Backbone interact. energy: -0.973
local terms energy: -116.627081
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -25.652
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -26.621
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: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -390.244517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.244517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.244517 (E_RNA)
where:
Base-Base interactions energy: -274.145
where: short stacking energy: -110.317
Base-Backbone interact. energy: 0.466
local terms energy: -116.565133
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -29.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -347.885261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.885261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.885261 (E_RNA)
where:
Base-Base interactions energy: -232.539
where: short stacking energy: -99.911
Base-Backbone interact. energy: -1.659
local terms energy: -113.687792
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -27.345
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: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -316.568464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.568464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.568464 (E_RNA)
where:
Base-Base interactions energy: -208.245
where: short stacking energy: -86.903
Base-Backbone interact. energy: -1.460
local terms energy: -106.863190
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: -25.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -287.932627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.932627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.932627 (E_RNA)
where:
Base-Base interactions energy: -174.291
where: short stacking energy: -78.745
Base-Backbone interact. energy: 0.697
local terms energy: -114.338602
where:
bonds (distance) C4'-P energy: -27.683
bonds (distance) P-C4' energy: -26.663
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -271.842714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.842714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.842714 (E_RNA)
where:
Base-Base interactions energy: -176.050
where: short stacking energy: -77.771
Base-Backbone interact. energy: -0.568
local terms energy: -95.224397
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -263.710014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.710014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.710014 (E_RNA)
where:
Base-Base interactions energy: -162.621
where: short stacking energy: -74.550
Base-Backbone interact. energy: -0.455
local terms energy: -100.634344
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -21.302
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: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -257.596828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.596828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.596828 (E_RNA)
where:
Base-Base interactions energy: -163.791
where: short stacking energy: -80.957
Base-Backbone interact. energy: -0.227
local terms energy: -93.579073
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -159.503336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.503336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.503336 (E_RNA)
where:
Base-Base interactions energy: -77.186
where: short stacking energy: -54.589
Base-Backbone interact. energy: -0.061
local terms energy: -82.256086
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -8.430
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: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -118.529942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.529942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.529942 (E_RNA)
where:
Base-Base interactions energy: -46.400
where: short stacking energy: -33.397
Base-Backbone interact. energy: -0.137
local terms energy: -71.993038
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: 0.564
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: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -398.251985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.251985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.251985 (E_RNA)
where:
Base-Base interactions energy: -274.279
where: short stacking energy: -106.557
Base-Backbone interact. energy: -0.286
local terms energy: -123.686311
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -26.690
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: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -401.249660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.249660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.249660 (E_RNA)
where:
Base-Base interactions energy: -278.750
where: short stacking energy: -102.866
Base-Backbone interact. energy: -1.438
local terms energy: -121.061637
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -25.217
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -28.743
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: 459
Temperature: 1.000000
Total energy: -345.784859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.784859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.784859 (E_RNA)
where:
Base-Base interactions energy: -239.187
where: short stacking energy: -85.455
Base-Backbone interact. energy: -0.645
local terms energy: -105.953214
where:
bonds (distance) C4'-P energy: -22.832
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -21.584
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: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -314.431090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.431090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.431090 (E_RNA)
where:
Base-Base interactions energy: -208.730
where: short stacking energy: -82.655
Base-Backbone interact. energy: -0.590
local terms energy: -105.111080
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -284.598223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.598223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.598223 (E_RNA)
where:
Base-Base interactions energy: -181.860
where: short stacking energy: -79.784
Base-Backbone interact. energy: 0.128
local terms energy: -102.866537
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -24.013
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: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -246.599025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.599025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.599025 (E_RNA)
where:
Base-Base interactions energy: -149.580
where: short stacking energy: -60.749
Base-Backbone interact. energy: 0.345
local terms energy: -97.364586
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -25.103
flat angles C4'-P-C4' energy: -23.175
flat angles P-C4'-P energy: -14.467
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: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -245.644718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.644718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.644718 (E_RNA)
where:
Base-Base interactions energy: -162.858
where: short stacking energy: -64.064
Base-Backbone interact. energy: 2.701
local terms energy: -85.487972
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -252.144549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.144549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.144549 (E_RNA)
where:
Base-Base interactions energy: -170.625
where: short stacking energy: -88.035
Base-Backbone interact. energy: -0.456
local terms energy: -81.063012
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -17.768
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: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -111.413337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.413337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.413337 (E_RNA)
where:
Base-Base interactions energy: -35.443
where: short stacking energy: -34.441
Base-Backbone interact. energy: -0.122
local terms energy: -75.848668
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: 0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -120.582642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.582642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.582642 (E_RNA)
where:
Base-Base interactions energy: -43.920
where: short stacking energy: -34.309
Base-Backbone interact. energy: 0.287
local terms energy: -76.949069
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -409.671505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.671505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.671505 (E_RNA)
where:
Base-Base interactions energy: -286.078
where: short stacking energy: -104.096
Base-Backbone interact. energy: -3.170
local terms energy: -120.423427
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -30.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -394.256272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.256272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.256272 (E_RNA)
where:
Base-Base interactions energy: -284.710
where: short stacking energy: -112.566
Base-Backbone interact. energy: -0.211
local terms energy: -109.335079
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -25.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -301.760934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.760934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.760934 (E_RNA)
where:
Base-Base interactions energy: -197.326
where: short stacking energy: -89.271
Base-Backbone interact. energy: -0.206
local terms energy: -104.229088
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -28.761
flat angles P-C4'-P energy: -17.774
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: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -339.148605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.148605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.148605 (E_RNA)
where:
Base-Base interactions energy: -236.655
where: short stacking energy: -83.040
Base-Backbone interact. energy: -2.434
local terms energy: -100.059608
where:
bonds (distance) C4'-P energy: -28.715
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -13.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -283.868242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.868242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.868242 (E_RNA)
where:
Base-Base interactions energy: -180.859
where: short stacking energy: -82.745
Base-Backbone interact. energy: -0.186
local terms energy: -102.823092
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -276.613359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.613359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.613359 (E_RNA)
where:
Base-Base interactions energy: -180.049
where: short stacking energy: -100.036
Base-Backbone interact. energy: -0.023
local terms energy: -96.541906
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -13.535
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: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -268.181388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.181388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.181388 (E_RNA)
where:
Base-Base interactions energy: -166.378
where: short stacking energy: -68.626
Base-Backbone interact. energy: -0.423
local terms energy: -101.380184
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -25.439
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -17.324
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: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -249.189888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.189888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.189888 (E_RNA)
where:
Base-Base interactions energy: -157.542
where: short stacking energy: -80.075
Base-Backbone interact. energy: -0.418
local terms energy: -91.229745
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -11.342
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: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -110.829751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.829751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.829751 (E_RNA)
where:
Base-Base interactions energy: -35.398
where: short stacking energy: -20.097
Base-Backbone interact. energy: 0.276
local terms energy: -75.707789
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: 3.943
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: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -115.444790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.444790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.444790 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -37.957
Base-Backbone interact. energy: -0.532
local terms energy: -76.597427
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -13.973
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: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -394.987342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.987342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.987342 (E_RNA)
where:
Base-Base interactions energy: -274.621
where: short stacking energy: -111.703
Base-Backbone interact. energy: -0.787
local terms energy: -119.579171
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -28.896
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -30.052
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: 461
Temperature: 0.950000
Total energy: -396.559941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.559941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.559941 (E_RNA)
where:
Base-Base interactions energy: -273.808
where: short stacking energy: -109.064
Base-Backbone interact. energy: -1.356
local terms energy: -121.395676
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -27.160
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -24.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -319.850291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.850291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.850291 (E_RNA)
where:
Base-Base interactions energy: -215.360
where: short stacking energy: -92.227
Base-Backbone interact. energy: -0.262
local terms energy: -104.228500
where:
bonds (distance) C4'-P energy: -23.165
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -343.362562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.362562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.362562 (E_RNA)
where:
Base-Base interactions energy: -235.641
where: short stacking energy: -83.020
Base-Backbone interact. energy: -2.309
local terms energy: -105.412564
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -20.518
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: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -294.993029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.993029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.993029 (E_RNA)
where:
Base-Base interactions energy: -195.320
where: short stacking energy: -92.299
Base-Backbone interact. energy: -0.190
local terms energy: -99.483540
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -294.744256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.744256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.744256 (E_RNA)
where:
Base-Base interactions energy: -200.668
where: short stacking energy: -96.412
Base-Backbone interact. energy: -1.502
local terms energy: -92.574090
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -261.381392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.381392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.381392 (E_RNA)
where:
Base-Base interactions energy: -155.922
where: short stacking energy: -72.297
Base-Backbone interact. energy: -0.319
local terms energy: -105.140061
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -243.692751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.692751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.692751 (E_RNA)
where:
Base-Base interactions energy: -152.763
where: short stacking energy: -70.050
Base-Backbone interact. energy: 0.175
local terms energy: -91.104928
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -8.362
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: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -119.185460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.185460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.185460 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -31.550
Base-Backbone interact. energy: 2.070
local terms energy: -83.445800
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -9.099
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: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -116.483890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.483890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.483890 (E_RNA)
where:
Base-Base interactions energy: -48.646
where: short stacking energy: -31.794
Base-Backbone interact. energy: -1.441
local terms energy: -66.396617
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: 2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -405.996146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.996146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.996146 (E_RNA)
where:
Base-Base interactions energy: -283.048
where: short stacking energy: -111.929
Base-Backbone interact. energy: -0.271
local terms energy: -122.677568
where:
bonds (distance) C4'-P energy: -26.440
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -28.884
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -30.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -403.667863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.667863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.667863 (E_RNA)
where:
Base-Base interactions energy: -281.881
where: short stacking energy: -108.783
Base-Backbone interact. energy: -1.845
local terms energy: -119.941997
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -31.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -322.522599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.522599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.522599 (E_RNA)
where:
Base-Base interactions energy: -222.935
where: short stacking energy: -86.505
Base-Backbone interact. energy: -2.183
local terms energy: -97.404727
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -15.307
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: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -293.061783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.061783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.061783 (E_RNA)
where:
Base-Base interactions energy: -197.543
where: short stacking energy: -76.626
Base-Backbone interact. energy: -0.310
local terms energy: -95.209149
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -276.288086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.288086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.288086 (E_RNA)
where:
Base-Base interactions energy: -174.054
where: short stacking energy: -80.101
Base-Backbone interact. energy: 1.516
local terms energy: -103.749168
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -24.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -278.512119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.512119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.512119 (E_RNA)
where:
Base-Base interactions energy: -185.468
where: short stacking energy: -73.311
Base-Backbone interact. energy: -0.410
local terms energy: -92.633861
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -263.243859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.243859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.243859 (E_RNA)
where:
Base-Base interactions energy: -159.183
where: short stacking energy: -66.862
Base-Backbone interact. energy: -0.396
local terms energy: -103.665263
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -17.882
tors. eta vs tors. theta energy: -19.507
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: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -276.982845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.982845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.982845 (E_RNA)
where:
Base-Base interactions energy: -175.942
where: short stacking energy: -79.706
Base-Backbone interact. energy: -0.273
local terms energy: -100.767810
where:
bonds (distance) C4'-P energy: -24.804
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -126.896203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.896203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.896203 (E_RNA)
where:
Base-Base interactions energy: -40.279
where: short stacking energy: -31.666
Base-Backbone interact. energy: -0.583
local terms energy: -86.033414
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -117.914379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.914379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.914379 (E_RNA)
where:
Base-Base interactions energy: -56.550
where: short stacking energy: -37.904
Base-Backbone interact. energy: 2.112
local terms energy: -63.477015
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: 3.629
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: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -407.759252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.759252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.759252 (E_RNA)
where:
Base-Base interactions energy: -287.062
where: short stacking energy: -119.083
Base-Backbone interact. energy: -0.128
local terms energy: -120.569100
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -24.069
flat angles C4'-P-C4' energy: -26.825
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -28.432
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: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -400.718439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.718439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.718439 (E_RNA)
where:
Base-Base interactions energy: -281.481
where: short stacking energy: -112.028
Base-Backbone interact. energy: -0.589
local terms energy: -118.648531
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -27.213
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: 463
Temperature: 1.000000
Total energy: -333.868533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.868533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.868533 (E_RNA)
where:
Base-Base interactions energy: -219.815
where: short stacking energy: -94.196
Base-Backbone interact. energy: -0.505
local terms energy: -113.548032
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -290.658109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.658109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.658109 (E_RNA)
where:
Base-Base interactions energy: -181.386
where: short stacking energy: -82.271
Base-Backbone interact. energy: -0.133
local terms energy: -109.138901
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -21.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -279.493890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.493890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.493890 (E_RNA)
where:
Base-Base interactions energy: -184.217
where: short stacking energy: -92.012
Base-Backbone interact. energy: 0.249
local terms energy: -95.525995
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -14.679
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: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -277.460572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.460572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.460572 (E_RNA)
where:
Base-Base interactions energy: -176.364
where: short stacking energy: -76.105
Base-Backbone interact. energy: 0.155
local terms energy: -101.251005
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -26.624
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: 463
Temperature: 1.200000
Total energy: -256.046110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.046110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.046110 (E_RNA)
where:
Base-Base interactions energy: -154.072
where: short stacking energy: -71.584
Base-Backbone interact. energy: -0.624
local terms energy: -101.349580
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -138.731202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.731202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.731202 (E_RNA)
where:
Base-Base interactions energy: -50.985
where: short stacking energy: -46.185
Base-Backbone interact. energy: -0.217
local terms energy: -87.528871
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -216.996918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.996918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.996918 (E_RNA)
where:
Base-Base interactions energy: -138.306
where: short stacking energy: -57.581
Base-Backbone interact. energy: -1.374
local terms energy: -77.317264
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -114.950444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.950444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.950444 (E_RNA)
where:
Base-Base interactions energy: -35.574
where: short stacking energy: -35.574
Base-Backbone interact. energy: -0.352
local terms energy: -79.024814
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -1.626
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: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -402.539421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.539421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.539421 (E_RNA)
where:
Base-Base interactions energy: -274.815
where: short stacking energy: -106.816
Base-Backbone interact. energy: -0.249
local terms energy: -127.474999
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -29.214
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -29.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -388.977335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.977335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.977335 (E_RNA)
where:
Base-Base interactions energy: -267.154
where: short stacking energy: -104.643
Base-Backbone interact. energy: -1.529
local terms energy: -120.294541
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -26.427
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -28.913
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: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -322.393486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.393486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.393486 (E_RNA)
where:
Base-Base interactions energy: -204.405
where: short stacking energy: -87.757
Base-Backbone interact. energy: -0.789
local terms energy: -117.198773
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -25.851
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -25.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -310.728156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.728156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.728156 (E_RNA)
where:
Base-Base interactions energy: -201.855
where: short stacking energy: -89.785
Base-Backbone interact. energy: 1.399
local terms energy: -110.272721
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -25.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -277.982278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.982278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.982278 (E_RNA)
where:
Base-Base interactions energy: -176.343
where: short stacking energy: -87.993
Base-Backbone interact. energy: -0.345
local terms energy: -101.294030
where:
bonds (distance) C4'-P energy: -24.551
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -274.006075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.006075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.006075 (E_RNA)
where:
Base-Base interactions energy: -177.881
where: short stacking energy: -76.134
Base-Backbone interact. energy: -0.232
local terms energy: -95.892798
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -14.488
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: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -296.957007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.957007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.957007 (E_RNA)
where:
Base-Base interactions energy: -194.301
where: short stacking energy: -92.389
Base-Backbone interact. energy: -0.404
local terms energy: -102.252056
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -22.851
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: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -149.857394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.857394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.857394 (E_RNA)
where:
Base-Base interactions energy: -62.729
where: short stacking energy: -44.297
Base-Backbone interact. energy: -0.527
local terms energy: -86.601626
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -8.606
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: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -243.674949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.674949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.674949 (E_RNA)
where:
Base-Base interactions energy: -149.174
where: short stacking energy: -66.504
Base-Backbone interact. energy: -0.382
local terms energy: -94.118365
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -14.783
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: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -115.528109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.528109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.528109 (E_RNA)
where:
Base-Base interactions energy: -38.582
where: short stacking energy: -23.309
Base-Backbone interact. energy: -1.646
local terms energy: -75.300098
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -17.662
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: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -386.975551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.975551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.975551 (E_RNA)
where:
Base-Base interactions energy: -265.656
where: short stacking energy: -104.054
Base-Backbone interact. energy: -0.109
local terms energy: -121.210585
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -29.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -395.620128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.620128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.620128 (E_RNA)
where:
Base-Base interactions energy: -278.875
where: short stacking energy: -103.766
Base-Backbone interact. energy: -0.433
local terms energy: -116.312166
where:
bonds (distance) C4'-P energy: -27.591
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -28.122
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: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -306.447057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.447057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.447057 (E_RNA)
where:
Base-Base interactions energy: -198.081
where: short stacking energy: -87.065
Base-Backbone interact. energy: -0.123
local terms energy: -108.242533
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -28.801
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -317.488951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.488951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.488951 (E_RNA)
where:
Base-Base interactions energy: -204.821
where: short stacking energy: -98.893
Base-Backbone interact. energy: -0.116
local terms energy: -112.552239
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -259.900591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.900591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.900591 (E_RNA)
where:
Base-Base interactions energy: -168.660
where: short stacking energy: -84.493
Base-Backbone interact. energy: -0.189
local terms energy: -91.051785
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -16.667
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: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -260.023625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.023625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.023625 (E_RNA)
where:
Base-Base interactions energy: -167.439
where: short stacking energy: -79.079
Base-Backbone interact. energy: -0.563
local terms energy: -92.022388
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -262.011733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.011733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.011733 (E_RNA)
where:
Base-Base interactions energy: -170.506
where: short stacking energy: -73.241
Base-Backbone interact. energy: -0.568
local terms energy: -90.937962
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -11.941
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: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -229.124889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.124889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.124889 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.129
local terms energy: -88.826612
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -135.547819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.547819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.547819 (E_RNA)
where:
Base-Base interactions energy: -54.815
where: short stacking energy: -40.636
Base-Backbone interact. energy: -0.225
local terms energy: -80.507439
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -116.438535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.438535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.438535 (E_RNA)
where:
Base-Base interactions energy: -52.868
where: short stacking energy: -33.653
Base-Backbone interact. energy: -2.140
local terms energy: -61.431297
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -7.337
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: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -399.728190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.728190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.728190 (E_RNA)
where:
Base-Base interactions energy: -278.418
where: short stacking energy: -111.345
Base-Backbone interact. energy: 0.388
local terms energy: -121.698611
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -28.064
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -27.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -378.918509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.918509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.918509 (E_RNA)
where:
Base-Base interactions energy: -259.328
where: short stacking energy: -108.073
Base-Backbone interact. energy: -0.024
local terms energy: -119.566852
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -27.171
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -28.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -332.107042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.107042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.107042 (E_RNA)
where:
Base-Base interactions energy: -214.595
where: short stacking energy: -92.402
Base-Backbone interact. energy: -0.176
local terms energy: -117.336485
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -29.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -310.118829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.118829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.118829 (E_RNA)
where:
Base-Base interactions energy: -203.849
where: short stacking energy: -84.001
Base-Backbone interact. energy: -0.350
local terms energy: -105.919610
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -25.972
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -291.530541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.530541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.530541 (E_RNA)
where:
Base-Base interactions energy: -196.412
where: short stacking energy: -71.926
Base-Backbone interact. energy: 0.501
local terms energy: -95.619484
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -254.924530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.924530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.924530 (E_RNA)
where:
Base-Base interactions energy: -149.849
where: short stacking energy: -67.767
Base-Backbone interact. energy: -0.482
local terms energy: -104.594277
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -252.769397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.769397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.769397 (E_RNA)
where:
Base-Base interactions energy: -158.453
where: short stacking energy: -72.302
Base-Backbone interact. energy: -0.203
local terms energy: -94.113898
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -201.918379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.918379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.918379 (E_RNA)
where:
Base-Base interactions energy: -118.568
where: short stacking energy: -65.421
Base-Backbone interact. energy: -1.088
local terms energy: -82.261646
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -125.402759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.402759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.402759 (E_RNA)
where:
Base-Base interactions energy: -54.900
where: short stacking energy: -29.014
Base-Backbone interact. energy: 1.146
local terms energy: -71.648920
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: 3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -134.210584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.210584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.210584 (E_RNA)
where:
Base-Base interactions energy: -49.838
where: short stacking energy: -41.231
Base-Backbone interact. energy: -0.140
local terms energy: -84.232964
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -6.885
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: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -395.138005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.138005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.138005 (E_RNA)
where:
Base-Base interactions energy: -274.725
where: short stacking energy: -103.996
Base-Backbone interact. energy: -2.600
local terms energy: -117.812933
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -28.547
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -387.353804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.353804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.353804 (E_RNA)
where:
Base-Base interactions energy: -281.514
where: short stacking energy: -108.730
Base-Backbone interact. energy: -0.178
local terms energy: -105.662317
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -28.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -317.242730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.242730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.242730 (E_RNA)
where:
Base-Base interactions energy: -213.669
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.221
local terms energy: -103.352467
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -24.940
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -19.896
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: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -311.281784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.281784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.281784 (E_RNA)
where:
Base-Base interactions energy: -208.712
where: short stacking energy: -82.636
Base-Backbone interact. energy: -0.604
local terms energy: -101.965531
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -310.371013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.371013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.371013 (E_RNA)
where:
Base-Base interactions energy: -194.400
where: short stacking energy: -88.957
Base-Backbone interact. energy: -0.171
local terms energy: -115.799444
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -26.934
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -280.185656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.185656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.185656 (E_RNA)
where:
Base-Base interactions energy: -179.322
where: short stacking energy: -76.059
Base-Backbone interact. energy: -0.520
local terms energy: -100.343705
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -28.016
flat angles P-C4'-P energy: -19.667
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -260.484630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.484630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.484630 (E_RNA)
where:
Base-Base interactions energy: -152.889
where: short stacking energy: -72.875
Base-Backbone interact. energy: -0.252
local terms energy: -107.344256
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -19.521
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -254.427276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.427276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.427276 (E_RNA)
where:
Base-Base interactions energy: -161.207
where: short stacking energy: -81.763
Base-Backbone interact. energy: -0.141
local terms energy: -93.079021
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -20.560
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -111.712016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.712016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.712016 (E_RNA)
where:
Base-Base interactions energy: -45.174
where: short stacking energy: -33.572
Base-Backbone interact. energy: -0.159
local terms energy: -66.379021
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -114.397833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.397833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.397833 (E_RNA)
where:
Base-Base interactions energy: -46.800
where: short stacking energy: -32.182
Base-Backbone interact. energy: -0.504
local terms energy: -67.094021
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: 7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -403.957351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.957351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.957351 (E_RNA)
where:
Base-Base interactions energy: -284.779
where: short stacking energy: -112.467
Base-Backbone interact. energy: -0.513
local terms energy: -118.664460
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -29.575
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: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -396.698799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.698799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.698799 (E_RNA)
where:
Base-Base interactions energy: -278.781
where: short stacking energy: -90.080
Base-Backbone interact. energy: -1.483
local terms energy: -116.435207
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -22.959
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -27.480
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: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -319.571106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.571106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.571106 (E_RNA)
where:
Base-Base interactions energy: -199.425
where: short stacking energy: -105.053
Base-Backbone interact. energy: -0.126
local terms energy: -120.019525
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -31.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -319.245354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.245354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.245354 (E_RNA)
where:
Base-Base interactions energy: -210.353
where: short stacking energy: -82.124
Base-Backbone interact. energy: -0.599
local terms energy: -108.293430
where:
bonds (distance) C4'-P energy: -24.399
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -297.081512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.081512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.081512 (E_RNA)
where:
Base-Base interactions energy: -204.003
where: short stacking energy: -92.035
Base-Backbone interact. energy: -0.665
local terms energy: -92.412653
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -278.966560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.966560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.966560 (E_RNA)
where:
Base-Base interactions energy: -186.283
where: short stacking energy: -80.068
Base-Backbone interact. energy: -0.506
local terms energy: -92.178091
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -268.532217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.532217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.532217 (E_RNA)
where:
Base-Base interactions energy: -158.740
where: short stacking energy: -70.254
Base-Backbone interact. energy: -1.140
local terms energy: -108.653126
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -25.724
flat angles P-C4'-P energy: -13.864
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: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -241.344895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.344895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.344895 (E_RNA)
where:
Base-Base interactions energy: -153.844
where: short stacking energy: -73.277
Base-Backbone interact. energy: -0.079
local terms energy: -87.421324
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -131.265032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.265032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.265032 (E_RNA)
where:
Base-Base interactions energy: -55.360
where: short stacking energy: -53.536
Base-Backbone interact. energy: 1.189
local terms energy: -77.093905
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -8.356
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: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -104.214573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.214573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.214573 (E_RNA)
where:
Base-Base interactions energy: -31.324
where: short stacking energy: -26.693
Base-Backbone interact. energy: -0.468
local terms energy: -72.422682
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -27.846
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: 2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -399.674315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.674315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.674315 (E_RNA)
where:
Base-Base interactions energy: -274.838
where: short stacking energy: -107.193
Base-Backbone interact. energy: -0.170
local terms energy: -124.666379
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -32.575
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: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -407.628617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.628617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.628617 (E_RNA)
where:
Base-Base interactions energy: -283.266
where: short stacking energy: -107.857
Base-Backbone interact. energy: -1.912
local terms energy: -122.450576
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -28.991
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -31.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -323.092493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.092493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.092493 (E_RNA)
where:
Base-Base interactions energy: -211.595
where: short stacking energy: -97.279
Base-Backbone interact. energy: -0.821
local terms energy: -110.676021
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -25.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -296.185077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.185077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.185077 (E_RNA)
where:
Base-Base interactions energy: -193.241
where: short stacking energy: -86.425
Base-Backbone interact. energy: -0.285
local terms energy: -102.658839
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -299.127782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.127782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.127782 (E_RNA)
where:
Base-Base interactions energy: -198.956
where: short stacking energy: -85.828
Base-Backbone interact. energy: 0.495
local terms energy: -100.666900
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -19.735
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: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -284.584200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.584200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.584200 (E_RNA)
where:
Base-Base interactions energy: -177.416
where: short stacking energy: -83.129
Base-Backbone interact. energy: 1.724
local terms energy: -108.892244
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -22.642
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: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -252.146632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.146632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.146632 (E_RNA)
where:
Base-Base interactions energy: -161.424
where: short stacking energy: -66.133
Base-Backbone interact. energy: -0.649
local terms energy: -90.073018
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -250.997887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.997887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.997887 (E_RNA)
where:
Base-Base interactions energy: -165.918
where: short stacking energy: -70.930
Base-Backbone interact. energy: 1.909
local terms energy: -86.988779
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -113.142661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.142661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.142661 (E_RNA)
where:
Base-Base interactions energy: -38.011
where: short stacking energy: -38.011
Base-Backbone interact. energy: -0.673
local terms energy: -74.459419
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -121.455225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.455225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.455225 (E_RNA)
where:
Base-Base interactions energy: -34.339
where: short stacking energy: -34.339
Base-Backbone interact. energy: -1.641
local terms energy: -85.475281
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -9.080
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: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -404.029579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.029579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.029579 (E_RNA)
where:
Base-Base interactions energy: -281.461
where: short stacking energy: -118.886
Base-Backbone interact. energy: -0.207
local terms energy: -122.362384
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -29.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -399.929218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.929218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.929218 (E_RNA)
where:
Base-Base interactions energy: -282.089
where: short stacking energy: -102.849
Base-Backbone interact. energy: 1.096
local terms energy: -118.936846
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -325.789863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.789863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.789863 (E_RNA)
where:
Base-Base interactions energy: -227.470
where: short stacking energy: -76.463
Base-Backbone interact. energy: -0.454
local terms energy: -97.865954
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -292.452932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.452932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.452932 (E_RNA)
where:
Base-Base interactions energy: -189.768
where: short stacking energy: -90.973
Base-Backbone interact. energy: -0.123
local terms energy: -102.561738
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -290.529849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.529849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.529849 (E_RNA)
where:
Base-Base interactions energy: -190.373
where: short stacking energy: -75.405
Base-Backbone interact. energy: -0.026
local terms energy: -100.131174
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -13.551
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: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -278.117546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.117546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.117546 (E_RNA)
where:
Base-Base interactions energy: -178.037
where: short stacking energy: -82.089
Base-Backbone interact. energy: -0.562
local terms energy: -99.518887
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -244.664110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.664110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.664110 (E_RNA)
where:
Base-Base interactions energy: -152.723
where: short stacking energy: -71.950
Base-Backbone interact. energy: -0.529
local terms energy: -91.412450
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -238.153400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.153400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.153400 (E_RNA)
where:
Base-Base interactions energy: -151.844
where: short stacking energy: -57.507
Base-Backbone interact. energy: -0.591
local terms energy: -85.717541
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -8.568
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: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -137.003349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.003349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.003349 (E_RNA)
where:
Base-Base interactions energy: -48.669
where: short stacking energy: -41.548
Base-Backbone interact. energy: -0.288
local terms energy: -88.046784
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -31.587
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -132.710326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.710326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.710326 (E_RNA)
where:
Base-Base interactions energy: -65.751
where: short stacking energy: -30.703
Base-Backbone interact. energy: -0.244
local terms energy: -66.715689
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -3.954
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: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -407.783233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.783233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.783233 (E_RNA)
where:
Base-Base interactions energy: -280.296
where: short stacking energy: -111.460
Base-Backbone interact. energy: -0.435
local terms energy: -127.052298
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -21.731
tors. eta vs tors. theta energy: -31.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -390.048542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.048542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.048542 (E_RNA)
where:
Base-Base interactions energy: -270.451
where: short stacking energy: -97.572
Base-Backbone interact. energy: -1.973
local terms energy: -117.623667
where:
bonds (distance) C4'-P energy: -27.353
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -26.227
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: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -339.879241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.879241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.879241 (E_RNA)
where:
Base-Base interactions energy: -220.440
where: short stacking energy: -90.795
Base-Backbone interact. energy: -1.747
local terms energy: -117.691921
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -28.285
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -312.597536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.597536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.597536 (E_RNA)
where:
Base-Base interactions energy: -199.919
where: short stacking energy: -93.317
Base-Backbone interact. energy: -0.762
local terms energy: -111.916244
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -291.986090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.986090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.986090 (E_RNA)
where:
Base-Base interactions energy: -178.928
where: short stacking energy: -82.159
Base-Backbone interact. energy: -0.179
local terms energy: -112.879207
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -27.405
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -20.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -306.839410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.839410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.839410 (E_RNA)
where:
Base-Base interactions energy: -199.764
where: short stacking energy: -80.871
Base-Backbone interact. energy: -0.212
local terms energy: -106.862714
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -252.897264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.897264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.897264 (E_RNA)
where:
Base-Base interactions energy: -148.285
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.114
local terms energy: -104.498374
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -19.109
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: 471
Temperature: 1.250000
Total energy: -218.923024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.923024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.923024 (E_RNA)
where:
Base-Base interactions energy: -129.048
where: short stacking energy: -64.658
Base-Backbone interact. energy: -0.858
local terms energy: -89.017316
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -117.941184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.941184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.941184 (E_RNA)
where:
Base-Base interactions energy: -45.996
where: short stacking energy: -35.164
Base-Backbone interact. energy: -0.599
local terms energy: -71.345930
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: 1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -192.658441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.658441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.658441 (E_RNA)
where:
Base-Base interactions energy: -114.618
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.092
local terms energy: -77.948841
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -7.391
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: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -401.695782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.695782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.695782 (E_RNA)
where:
Base-Base interactions energy: -280.487
where: short stacking energy: -113.021
Base-Backbone interact. energy: 1.289
local terms energy: -122.498028
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -392.906780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.906780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.906780 (E_RNA)
where:
Base-Base interactions energy: -281.984
where: short stacking energy: -107.590
Base-Backbone interact. energy: -1.256
local terms energy: -109.666288
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -25.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -337.618443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.618443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.618443 (E_RNA)
where:
Base-Base interactions energy: -230.149
where: short stacking energy: -98.582
Base-Backbone interact. energy: -1.470
local terms energy: -105.998908
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -24.756
flat angles C4'-P-C4' energy: -26.190
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -295.273272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.273272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.273272 (E_RNA)
where:
Base-Base interactions energy: -194.794
where: short stacking energy: -87.117
Base-Backbone interact. energy: -0.621
local terms energy: -99.857836
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -319.011099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.011099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.011099 (E_RNA)
where:
Base-Base interactions energy: -215.711
where: short stacking energy: -90.938
Base-Backbone interact. energy: -0.384
local terms energy: -102.915650
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -26.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -278.872238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.872238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.872238 (E_RNA)
where:
Base-Base interactions energy: -173.637
where: short stacking energy: -83.428
Base-Backbone interact. energy: -0.243
local terms energy: -104.992767
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -24.861
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -254.765291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.765291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.765291 (E_RNA)
where:
Base-Base interactions energy: -147.003
where: short stacking energy: -70.785
Base-Backbone interact. energy: -0.220
local terms energy: -107.542133
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -212.318890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.318890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.318890 (E_RNA)
where:
Base-Base interactions energy: -129.896
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.147
local terms energy: -82.275960
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -14.245
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: 472
Temperature: 1.300000
Total energy: -117.906456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.906456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.906456 (E_RNA)
where:
Base-Base interactions energy: -40.677
where: short stacking energy: -31.188
Base-Backbone interact. energy: -0.769
local terms energy: -76.460510
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -17.798
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: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -113.562824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.562824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.562824 (E_RNA)
where:
Base-Base interactions energy: -28.807
where: short stacking energy: -22.523
Base-Backbone interact. energy: -0.750
local terms energy: -84.005707
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -2.210
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: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -398.589438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.589438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.589438 (E_RNA)
where:
Base-Base interactions energy: -269.927
where: short stacking energy: -110.958
Base-Backbone interact. energy: -0.067
local terms energy: -128.594490
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -32.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -401.087299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.087299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.087299 (E_RNA)
where:
Base-Base interactions energy: -278.336
where: short stacking energy: -106.456
Base-Backbone interact. energy: -1.563
local terms energy: -121.188597
where:
bonds (distance) C4'-P energy: -28.071
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -28.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -336.001343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.001343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.001343 (E_RNA)
where:
Base-Base interactions energy: -220.197
where: short stacking energy: -95.537
Base-Backbone interact. energy: -0.422
local terms energy: -115.382330
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -28.177
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -302.114962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.114962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.114962 (E_RNA)
where:
Base-Base interactions energy: -200.011
where: short stacking energy: -75.470
Base-Backbone interact. energy: -1.190
local terms energy: -100.913587
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -295.182657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.182657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.182657 (E_RNA)
where:
Base-Base interactions energy: -198.686
where: short stacking energy: -91.794
Base-Backbone interact. energy: -0.471
local terms energy: -96.025274
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -21.491
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: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -298.156686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.156686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.156686 (E_RNA)
where:
Base-Base interactions energy: -180.451
where: short stacking energy: -91.115
Base-Backbone interact. energy: -0.022
local terms energy: -117.683638
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -25.360
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -27.814
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: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -264.771910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.771910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.771910 (E_RNA)
where:
Base-Base interactions energy: -160.174
where: short stacking energy: -79.233
Base-Backbone interact. energy: 0.335
local terms energy: -104.932896
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -216.292221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.292221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.292221 (E_RNA)
where:
Base-Base interactions energy: -127.047
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.320
local terms energy: -88.925597
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -128.971176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.971176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.971176 (E_RNA)
where:
Base-Base interactions energy: -38.114
where: short stacking energy: -38.114
Base-Backbone interact. energy: 0.006
local terms energy: -90.862793
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -28.259
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -118.596352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.596352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.596352 (E_RNA)
where:
Base-Base interactions energy: -40.519
where: short stacking energy: -32.607
Base-Backbone interact. energy: -0.355
local terms energy: -77.721991
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -28.368
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -402.277968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.277968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.277968 (E_RNA)
where:
Base-Base interactions energy: -278.615
where: short stacking energy: -106.979
Base-Backbone interact. energy: -1.152
local terms energy: -122.511509
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -20.164
tors. eta vs tors. theta energy: -28.951
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: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -408.099887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.099887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.099887 (E_RNA)
where:
Base-Base interactions energy: -293.823
where: short stacking energy: -112.463
Base-Backbone interact. energy: -1.095
local terms energy: -113.181577
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -27.922
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -26.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -354.096902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.096902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.096902 (E_RNA)
where:
Base-Base interactions energy: -237.482
where: short stacking energy: -97.963
Base-Backbone interact. energy: -0.409
local terms energy: -116.205913
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -26.774
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -23.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -289.771083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.771083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.771083 (E_RNA)
where:
Base-Base interactions energy: -181.078
where: short stacking energy: -86.432
Base-Backbone interact. energy: -0.162
local terms energy: -108.531312
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -29.170
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -297.004118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.004118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.004118 (E_RNA)
where:
Base-Base interactions energy: -203.305
where: short stacking energy: -77.152
Base-Backbone interact. energy: -1.174
local terms energy: -92.525497
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -276.750251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.750251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.750251 (E_RNA)
where:
Base-Base interactions energy: -176.723
where: short stacking energy: -78.880
Base-Backbone interact. energy: -0.824
local terms energy: -99.203346
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -257.021347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.021347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.021347 (E_RNA)
where:
Base-Base interactions energy: -166.066
where: short stacking energy: -75.585
Base-Backbone interact. energy: -0.215
local terms energy: -90.740029
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -251.093568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.093568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.093568 (E_RNA)
where:
Base-Base interactions energy: -160.016
where: short stacking energy: -71.462
Base-Backbone interact. energy: -0.633
local terms energy: -90.444155
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -14.721
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: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -112.825665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.825665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.825665 (E_RNA)
where:
Base-Base interactions energy: -45.011
where: short stacking energy: -35.786
Base-Backbone interact. energy: -0.299
local terms energy: -67.515829
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: 2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -101.778696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.778696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.778696 (E_RNA)
where:
Base-Base interactions energy: -30.013
where: short stacking energy: -28.342
Base-Backbone interact. energy: -0.002
local terms energy: -71.763466
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -402.787954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.787954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.787954 (E_RNA)
where:
Base-Base interactions energy: -276.421
where: short stacking energy: -103.637
Base-Backbone interact. energy: -1.764
local terms energy: -124.602798
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -26.883
flat angles C4'-P-C4' energy: -26.447
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -29.250
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: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -390.975162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.975162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.975162 (E_RNA)
where:
Base-Base interactions energy: -275.175
where: short stacking energy: -101.636
Base-Backbone interact. energy: -1.826
local terms energy: -113.974059
where:
bonds (distance) C4'-P energy: -23.159
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -30.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -348.381938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.381938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.381938 (E_RNA)
where:
Base-Base interactions energy: -234.589
where: short stacking energy: -99.779
Base-Backbone interact. energy: -0.908
local terms energy: -112.884843
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -27.248
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -25.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -319.907935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.907935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.907935 (E_RNA)
where:
Base-Base interactions energy: -204.547
where: short stacking energy: -98.933
Base-Backbone interact. energy: -0.202
local terms energy: -115.159469
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -25.560
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -294.604477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.604477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.604477 (E_RNA)
where:
Base-Base interactions energy: -199.098
where: short stacking energy: -75.420
Base-Backbone interact. energy: 0.748
local terms energy: -96.254664
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -14.635
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: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -301.238050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.238050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.238050 (E_RNA)
where:
Base-Base interactions energy: -191.132
where: short stacking energy: -84.857
Base-Backbone interact. energy: -1.250
local terms energy: -108.856119
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -17.785
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: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -262.083666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.083666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.083666 (E_RNA)
where:
Base-Base interactions energy: -163.276
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.131
local terms energy: -98.676631
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -26.422
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -258.225543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.225543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.225543 (E_RNA)
where:
Base-Base interactions energy: -162.686
where: short stacking energy: -74.757
Base-Backbone interact. energy: 0.621
local terms energy: -96.160551
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -10.823
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: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -119.009849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.009849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.009849 (E_RNA)
where:
Base-Base interactions energy: -37.219
where: short stacking energy: -34.012
Base-Backbone interact. energy: -0.383
local terms energy: -81.407614
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -0.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -107.799567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.799567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.799567 (E_RNA)
where:
Base-Base interactions energy: -27.682
where: short stacking energy: -25.864
Base-Backbone interact. energy: -0.545
local terms energy: -79.572119
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -0.773
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: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -381.632379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.632379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.632379 (E_RNA)
where:
Base-Base interactions energy: -270.163
where: short stacking energy: -95.011
Base-Backbone interact. energy: -0.191
local terms energy: -111.278418
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -20.335
tors. eta vs tors. theta energy: -26.805
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: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -384.704311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.704311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.704311 (E_RNA)
where:
Base-Base interactions energy: -272.780
where: short stacking energy: -99.271
Base-Backbone interact. energy: -0.297
local terms energy: -111.627449
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -29.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -333.198993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.198993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.198993 (E_RNA)
where:
Base-Base interactions energy: -222.477
where: short stacking energy: -102.108
Base-Backbone interact. energy: 0.641
local terms energy: -111.363139
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -26.528
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: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -343.926754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.926754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.926754 (E_RNA)
where:
Base-Base interactions energy: -233.046
where: short stacking energy: -106.024
Base-Backbone interact. energy: -0.224
local terms energy: -110.656446
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -30.886
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: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -258.809036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.809036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.809036 (E_RNA)
where:
Base-Base interactions energy: -164.884
where: short stacking energy: -74.931
Base-Backbone interact. energy: -0.196
local terms energy: -93.729635
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -16.239
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: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -261.597702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.597702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.597702 (E_RNA)
where:
Base-Base interactions energy: -155.441
where: short stacking energy: -79.045
Base-Backbone interact. energy: -0.228
local terms energy: -105.928610
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -278.473089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.473089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.473089 (E_RNA)
where:
Base-Base interactions energy: -168.422
where: short stacking energy: -74.854
Base-Backbone interact. energy: -0.233
local terms energy: -109.818118
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -26.112
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -243.749458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.749458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.749458 (E_RNA)
where:
Base-Base interactions energy: -157.451
where: short stacking energy: -82.409
Base-Backbone interact. energy: -0.266
local terms energy: -86.032042
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -23.832
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -18.823
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: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -109.719290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.719290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.719290 (E_RNA)
where:
Base-Base interactions energy: -34.543
where: short stacking energy: -34.543
Base-Backbone interact. energy: -0.177
local terms energy: -74.999424
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -7.074
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: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -116.647501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.647501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.647501 (E_RNA)
where:
Base-Base interactions energy: -36.798
where: short stacking energy: -32.940
Base-Backbone interact. energy: -0.286
local terms energy: -79.563745
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -24.271
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -391.366820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.366820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.366820 (E_RNA)
where:
Base-Base interactions energy: -284.951
where: short stacking energy: -110.435
Base-Backbone interact. energy: -0.066
local terms energy: -106.350270
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -30.107
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: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -404.896968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.896968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.896968 (E_RNA)
where:
Base-Base interactions energy: -289.806
where: short stacking energy: -112.978
Base-Backbone interact. energy: -1.527
local terms energy: -113.563187
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -29.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -338.011112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.011112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.011112 (E_RNA)
where:
Base-Base interactions energy: -239.740
where: short stacking energy: -101.415
Base-Backbone interact. energy: -0.068
local terms energy: -98.203354
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -339.996094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.996094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.996094 (E_RNA)
where:
Base-Base interactions energy: -238.916
where: short stacking energy: -99.001
Base-Backbone interact. energy: -0.368
local terms energy: -100.712360
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -26.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -287.206221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.206221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.206221 (E_RNA)
where:
Base-Base interactions energy: -186.224
where: short stacking energy: -82.690
Base-Backbone interact. energy: -1.131
local terms energy: -99.850645
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -19.179
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: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -286.305497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.305497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.305497 (E_RNA)
where:
Base-Base interactions energy: -186.063
where: short stacking energy: -81.360
Base-Backbone interact. energy: -0.682
local terms energy: -99.560264
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -267.461279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.461279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.461279 (E_RNA)
where:
Base-Base interactions energy: -163.925
where: short stacking energy: -73.314
Base-Backbone interact. energy: 0.631
local terms energy: -104.167642
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -19.361
tors. eta vs tors. theta energy: -18.246
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: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -241.925832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.925832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.925832 (E_RNA)
where:
Base-Base interactions energy: -144.879
where: short stacking energy: -64.383
Base-Backbone interact. energy: 0.063
local terms energy: -97.109815
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -117.709854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.709854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.709854 (E_RNA)
where:
Base-Base interactions energy: -38.579
where: short stacking energy: -39.844
Base-Backbone interact. energy: 2.064
local terms energy: -81.194773
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -8.284
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: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -111.630840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.630840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.630840 (E_RNA)
where:
Base-Base interactions energy: -38.150
where: short stacking energy: -32.285
Base-Backbone interact. energy: 1.745
local terms energy: -75.225522
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: 0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -414.702394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.702394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.702394 (E_RNA)
where:
Base-Base interactions energy: -302.603
where: short stacking energy: -106.480
Base-Backbone interact. energy: -0.783
local terms energy: -111.315914
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -27.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -404.477275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.477275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.477275 (E_RNA)
where:
Base-Base interactions energy: -285.551
where: short stacking energy: -121.238
Base-Backbone interact. energy: -1.377
local terms energy: -117.548994
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -25.677
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -28.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -336.446616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.446616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.446616 (E_RNA)
where:
Base-Base interactions energy: -226.251
where: short stacking energy: -94.941
Base-Backbone interact. energy: -1.006
local terms energy: -109.189368
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -295.579884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.579884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.579884 (E_RNA)
where:
Base-Base interactions energy: -190.963
where: short stacking energy: -79.745
Base-Backbone interact. energy: -0.736
local terms energy: -103.881750
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -297.114179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.114179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.114179 (E_RNA)
where:
Base-Base interactions energy: -189.986
where: short stacking energy: -90.464
Base-Backbone interact. energy: -1.408
local terms energy: -105.720325
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -272.415542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.415542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.415542 (E_RNA)
where:
Base-Base interactions energy: -184.354
where: short stacking energy: -83.217
Base-Backbone interact. energy: -1.255
local terms energy: -86.806753
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: 1.776
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -245.418989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.418989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.418989 (E_RNA)
where:
Base-Base interactions energy: -161.707
where: short stacking energy: -72.643
Base-Backbone interact. energy: -0.772
local terms energy: -82.940294
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -24.736
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -236.742338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.742338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.742338 (E_RNA)
where:
Base-Base interactions energy: -140.324
where: short stacking energy: -60.714
Base-Backbone interact. energy: -0.175
local terms energy: -96.243697
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -16.599
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: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -130.030422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.030422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.030422 (E_RNA)
where:
Base-Base interactions energy: -54.830
where: short stacking energy: -50.027
Base-Backbone interact. energy: 0.278
local terms energy: -75.478164
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -112.509295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.509295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.509295 (E_RNA)
where:
Base-Base interactions energy: -45.235
where: short stacking energy: -29.195
Base-Backbone interact. energy: 1.699
local terms energy: -68.972953
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: 4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -420.868349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.868349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.868349 (E_RNA)
where:
Base-Base interactions energy: -291.888
where: short stacking energy: -107.962
Base-Backbone interact. energy: -0.495
local terms energy: -128.485722
where:
bonds (distance) C4'-P energy: -24.401
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -28.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -383.456107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.456107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.456107 (E_RNA)
where:
Base-Base interactions energy: -279.296
where: short stacking energy: -113.706
Base-Backbone interact. energy: -1.235
local terms energy: -102.925424
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -27.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -335.116247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.116247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.116247 (E_RNA)
where:
Base-Base interactions energy: -223.459
where: short stacking energy: -92.265
Base-Backbone interact. energy: -0.197
local terms energy: -111.459756
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -25.637
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -22.704
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: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -305.238411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.238411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.238411 (E_RNA)
where:
Base-Base interactions energy: -193.203
where: short stacking energy: -100.928
Base-Backbone interact. energy: 0.684
local terms energy: -112.718924
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -27.026
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: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -278.782591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.782591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.782591 (E_RNA)
where:
Base-Base interactions energy: -177.079
where: short stacking energy: -74.296
Base-Backbone interact. energy: -0.325
local terms energy: -101.379444
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -13.373
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: 6, replica: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -290.498847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.498847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.498847 (E_RNA)
where:
Base-Base interactions energy: -184.779
where: short stacking energy: -81.131
Base-Backbone interact. energy: -0.546
local terms energy: -105.174208
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -16.822
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: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -248.331453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.331453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.331453 (E_RNA)
where:
Base-Base interactions energy: -150.595
where: short stacking energy: -72.108
Base-Backbone interact. energy: -0.206
local terms energy: -97.529927
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -253.820236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.820236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.820236 (E_RNA)
where:
Base-Base interactions energy: -156.363
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.140
local terms energy: -97.317792
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -23.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -128.120520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.120520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.120520 (E_RNA)
where:
Base-Base interactions energy: -45.582
where: short stacking energy: -38.071
Base-Backbone interact. energy: -0.470
local terms energy: -82.068371
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -130.799558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.799558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.799558 (E_RNA)
where:
Base-Base interactions energy: -56.363
where: short stacking energy: -37.349
Base-Backbone interact. energy: -1.920
local terms energy: -72.516582
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -406.376727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.376727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.376727 (E_RNA)
where:
Base-Base interactions energy: -282.922
where: short stacking energy: -102.736
Base-Backbone interact. energy: -0.842
local terms energy: -122.612881
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -28.785
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: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -383.295150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.295150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.295150 (E_RNA)
where:
Base-Base interactions energy: -265.417
where: short stacking energy: -110.503
Base-Backbone interact. energy: -0.103
local terms energy: -117.774635
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -24.897
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -28.389
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: 480
Temperature: 1.000000
Total energy: -350.531883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.531883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.531883 (E_RNA)
where:
Base-Base interactions energy: -239.454
where: short stacking energy: -95.049
Base-Backbone interact. energy: -0.815
local terms energy: -110.263265
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -23.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -302.612851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.612851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.612851 (E_RNA)
where:
Base-Base interactions energy: -187.640
where: short stacking energy: -98.622
Base-Backbone interact. energy: -0.257
local terms energy: -114.716642
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -24.296
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -23.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -301.844287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.844287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.844287 (E_RNA)
where:
Base-Base interactions energy: -195.509
where: short stacking energy: -80.340
Base-Backbone interact. energy: -0.891
local terms energy: -105.444832
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -21.444
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: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -270.192791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.192791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.192791 (E_RNA)
where:
Base-Base interactions energy: -181.173
where: short stacking energy: -81.197
Base-Backbone interact. energy: -0.277
local terms energy: -88.743351
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -257.906156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.906156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.906156 (E_RNA)
where:
Base-Base interactions energy: -162.178
where: short stacking energy: -75.924
Base-Backbone interact. energy: -0.359
local terms energy: -95.369841
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -25.511
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -253.008938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.008938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.008938 (E_RNA)
where:
Base-Base interactions energy: -152.341
where: short stacking energy: -73.085
Base-Backbone interact. energy: -0.050
local terms energy: -100.617915
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -26.074
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -19.516
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: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -115.848148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.848148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.848148 (E_RNA)
where:
Base-Base interactions energy: -33.378
where: short stacking energy: -33.378
Base-Backbone interact. energy: -0.391
local terms energy: -82.079248
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -13.231
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: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -111.201012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.201012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.201012 (E_RNA)
where:
Base-Base interactions energy: -36.960
where: short stacking energy: -27.057
Base-Backbone interact. energy: 0.140
local terms energy: -74.381297
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: 3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -411.950120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.950120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.950120 (E_RNA)
where:
Base-Base interactions energy: -285.085
where: short stacking energy: -94.708
Base-Backbone interact. energy: -3.016
local terms energy: -123.848941
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -26.768
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -29.141
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: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -384.961577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.961577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.961577 (E_RNA)
where:
Base-Base interactions energy: -275.259
where: short stacking energy: -108.758
Base-Backbone interact. energy: -0.139
local terms energy: -109.564209
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -30.041
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: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -347.495867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.495867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.495867 (E_RNA)
where:
Base-Base interactions energy: -229.312
where: short stacking energy: -85.469
Base-Backbone interact. energy: -0.960
local terms energy: -117.223289
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -28.786
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -313.882485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.882485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.882485 (E_RNA)
where:
Base-Base interactions energy: -199.656
where: short stacking energy: -91.853
Base-Backbone interact. energy: -1.148
local terms energy: -113.077821
where:
bonds (distance) C4'-P energy: -25.303
bonds (distance) P-C4' energy: -28.457
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -23.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -312.469659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.469659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.469659 (E_RNA)
where:
Base-Base interactions energy: -190.511
where: short stacking energy: -96.534
Base-Backbone interact. energy: -0.719
local terms energy: -121.239474
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -28.398
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -29.009
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: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -283.350594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.350594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.350594 (E_RNA)
where:
Base-Base interactions energy: -180.683
where: short stacking energy: -77.821
Base-Backbone interact. energy: -0.232
local terms energy: -102.435308
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -21.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -246.757287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.757287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.757287 (E_RNA)
where:
Base-Base interactions energy: -159.858
where: short stacking energy: -74.730
Base-Backbone interact. energy: -0.367
local terms energy: -86.533168
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -261.585047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.585047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.585047 (E_RNA)
where:
Base-Base interactions energy: -163.129
where: short stacking energy: -82.497
Base-Backbone interact. energy: 0.186
local terms energy: -98.641534
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -22.873
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -12.667
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: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -114.052320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.052320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.052320 (E_RNA)
where:
Base-Base interactions energy: -38.281
where: short stacking energy: -29.784
Base-Backbone interact. energy: -0.163
local terms energy: -75.608883
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: 0.412
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: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -116.042694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.042694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.042694 (E_RNA)
where:
Base-Base interactions energy: -40.525
where: short stacking energy: -36.542
Base-Backbone interact. energy: 0.478
local terms energy: -75.995780
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -394.981640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.981640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.981640 (E_RNA)
where:
Base-Base interactions energy: -278.281
where: short stacking energy: -104.699
Base-Backbone interact. energy: 1.573
local terms energy: -118.273618
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -26.761
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -25.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -407.191128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.191128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.191128 (E_RNA)
where:
Base-Base interactions energy: -289.640
where: short stacking energy: -101.599
Base-Backbone interact. energy: -2.268
local terms energy: -115.283341
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -31.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -372.920213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.920213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.920213 (E_RNA)
where:
Base-Base interactions energy: -253.492
where: short stacking energy: -100.962
Base-Backbone interact. energy: -0.556
local terms energy: -118.872538
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -29.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -302.853761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.853761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.853761 (E_RNA)
where:
Base-Base interactions energy: -186.778
where: short stacking energy: -90.606
Base-Backbone interact. energy: -0.353
local terms energy: -115.722884
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -26.490
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -296.725911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.725911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.725911 (E_RNA)
where:
Base-Base interactions energy: -187.830
where: short stacking energy: -73.512
Base-Backbone interact. energy: -0.505
local terms energy: -108.390722
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -24.871
flat angles P-C4'-P energy: -22.911
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -288.422474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.422474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.422474 (E_RNA)
where:
Base-Base interactions energy: -187.297
where: short stacking energy: -88.552
Base-Backbone interact. energy: -1.343
local terms energy: -99.782292
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -254.893491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.893491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.893491 (E_RNA)
where:
Base-Base interactions energy: -165.153
where: short stacking energy: -74.122
Base-Backbone interact. energy: -2.491
local terms energy: -87.249680
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -17.283
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: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -254.671151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.671151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.671151 (E_RNA)
where:
Base-Base interactions energy: -153.953
where: short stacking energy: -79.240
Base-Backbone interact. energy: -0.081
local terms energy: -100.636791
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -131.851423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.851423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.851423 (E_RNA)
where:
Base-Base interactions energy: -52.141
where: short stacking energy: -52.141
Base-Backbone interact. energy: -0.162
local terms energy: -79.548473
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -9.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -108.414573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.414573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.414573 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -33.404
Base-Backbone interact. energy: -0.281
local terms energy: -70.242466
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -13.355
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: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -399.599304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.599304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.599304 (E_RNA)
where:
Base-Base interactions energy: -278.687
where: short stacking energy: -105.213
Base-Backbone interact. energy: -0.057
local terms energy: -120.855584
where:
bonds (distance) C4'-P energy: -25.570
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -24.589
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: 483
Temperature: 0.950000
Total energy: -366.404294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.404294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.404294 (E_RNA)
where:
Base-Base interactions energy: -257.276
where: short stacking energy: -94.472
Base-Backbone interact. energy: 0.976
local terms energy: -110.103885
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -27.325
flat angles P-C4'-P energy: -17.078
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: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -398.343179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.343179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.343179 (E_RNA)
where:
Base-Base interactions energy: -279.965
where: short stacking energy: -103.668
Base-Backbone interact. energy: -2.651
local terms energy: -115.726962
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -29.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -306.494356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.494356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.494356 (E_RNA)
where:
Base-Base interactions energy: -205.708
where: short stacking energy: -98.232
Base-Backbone interact. energy: -1.218
local terms energy: -99.568643
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -20.945
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: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -299.725475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.725475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.725475 (E_RNA)
where:
Base-Base interactions energy: -199.049
where: short stacking energy: -96.972
Base-Backbone interact. energy: 1.873
local terms energy: -102.549141
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -27.032
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: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -266.432422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.432422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.432422 (E_RNA)
where:
Base-Base interactions energy: -155.952
where: short stacking energy: -73.847
Base-Backbone interact. energy: 0.382
local terms energy: -110.861741
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -26.728
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: -16.061
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: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -261.655883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.655883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.655883 (E_RNA)
where:
Base-Base interactions energy: -174.079
where: short stacking energy: -74.523
Base-Backbone interact. energy: -0.918
local terms energy: -86.658972
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -254.406782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.406782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.406782 (E_RNA)
where:
Base-Base interactions energy: -153.588
where: short stacking energy: -67.892
Base-Backbone interact. energy: -1.347
local terms energy: -99.471991
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -21.907
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: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -134.488340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.488340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.488340 (E_RNA)
where:
Base-Base interactions energy: -69.251
where: short stacking energy: -40.041
Base-Backbone interact. energy: -0.356
local terms energy: -64.881483
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: 7.287
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: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -125.911813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.911813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.911813 (E_RNA)
where:
Base-Base interactions energy: -42.373
where: short stacking energy: -42.373
Base-Backbone interact. energy: -0.250
local terms energy: -83.288696
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -402.753963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.753963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.753963 (E_RNA)
where:
Base-Base interactions energy: -283.970
where: short stacking energy: -110.004
Base-Backbone interact. energy: 0.386
local terms energy: -119.170562
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -30.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -367.281727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.281727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.281727 (E_RNA)
where:
Base-Base interactions energy: -254.960
where: short stacking energy: -104.514
Base-Backbone interact. energy: -2.372
local terms energy: -109.949818
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -21.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -382.576011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.576011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.576011 (E_RNA)
where:
Base-Base interactions energy: -275.177
where: short stacking energy: -105.698
Base-Backbone interact. energy: -1.817
local terms energy: -105.581544
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -27.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -311.291105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.291105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.291105 (E_RNA)
where:
Base-Base interactions energy: -192.384
where: short stacking energy: -94.314
Base-Backbone interact. energy: 0.483
local terms energy: -119.389404
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -25.893
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: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -275.712995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.712995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.712995 (E_RNA)
where:
Base-Base interactions energy: -166.491
where: short stacking energy: -81.978
Base-Backbone interact. energy: 0.042
local terms energy: -109.263339
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -28.108
flat angles C4'-P-C4' energy: -20.865
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -24.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -282.016121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.016121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.016121 (E_RNA)
where:
Base-Base interactions energy: -177.089
where: short stacking energy: -88.946
Base-Backbone interact. energy: -0.586
local terms energy: -104.341361
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -27.581
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -21.715
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: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -263.728004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.728004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.728004 (E_RNA)
where:
Base-Base interactions energy: -161.451
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.360
local terms energy: -101.917069
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -14.771
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: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -252.708699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.708699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.708699 (E_RNA)
where:
Base-Base interactions energy: -163.353
where: short stacking energy: -82.445
Base-Backbone interact. energy: 0.326
local terms energy: -89.681628
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -142.632389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.632389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.632389 (E_RNA)
where:
Base-Base interactions energy: -55.911
where: short stacking energy: -32.757
Base-Backbone interact. energy: -0.407
local terms energy: -86.315065
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -8.546
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: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -122.259338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.259338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.259338 (E_RNA)
where:
Base-Base interactions energy: -46.889
where: short stacking energy: -34.956
Base-Backbone interact. energy: -0.201
local terms energy: -75.169932
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -396.436480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.436480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.436480 (E_RNA)
where:
Base-Base interactions energy: -270.995
where: short stacking energy: -109.519
Base-Backbone interact. energy: -0.858
local terms energy: -124.583580
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -27.482
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -29.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -401.513328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.513328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.513328 (E_RNA)
where:
Base-Base interactions energy: -273.809
where: short stacking energy: -113.092
Base-Backbone interact. energy: -0.511
local terms energy: -127.193143
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -25.457
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -35.289
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: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -347.356967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.356967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.356967 (E_RNA)
where:
Base-Base interactions energy: -241.767
where: short stacking energy: -79.862
Base-Backbone interact. energy: -0.361
local terms energy: -105.229407
where:
bonds (distance) C4'-P energy: -23.473
bonds (distance) P-C4' energy: -26.176
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -310.256149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.256149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.256149 (E_RNA)
where:
Base-Base interactions energy: -196.836
where: short stacking energy: -91.421
Base-Backbone interact. energy: -0.497
local terms energy: -112.923203
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -20.432
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: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -283.739668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.739668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.739668 (E_RNA)
where:
Base-Base interactions energy: -180.388
where: short stacking energy: -88.703
Base-Backbone interact. energy: -0.149
local terms energy: -103.202666
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -20.341
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: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -262.359883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.359883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.359883 (E_RNA)
where:
Base-Base interactions energy: -162.053
where: short stacking energy: -78.644
Base-Backbone interact. energy: -0.296
local terms energy: -100.010989
where:
bonds (distance) C4'-P energy: -22.710
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -265.431571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.431571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.431571 (E_RNA)
where:
Base-Base interactions energy: -171.028
where: short stacking energy: -74.051
Base-Backbone interact. energy: -0.167
local terms energy: -94.236025
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -14.043
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: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -261.328468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.328468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.328468 (E_RNA)
where:
Base-Base interactions energy: -180.038
where: short stacking energy: -70.791
Base-Backbone interact. energy: -0.316
local terms energy: -80.974327
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -139.746390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.746390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.746390 (E_RNA)
where:
Base-Base interactions energy: -58.667
where: short stacking energy: -49.057
Base-Backbone interact. energy: 0.001
local terms energy: -81.080445
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -113.890233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.890233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.890233 (E_RNA)
where:
Base-Base interactions energy: -38.494
where: short stacking energy: -30.972
Base-Backbone interact. energy: -1.186
local terms energy: -74.210400
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -26.832
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -3.683
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: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -411.088935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.088935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.088935 (E_RNA)
where:
Base-Base interactions energy: -292.443
where: short stacking energy: -114.021
Base-Backbone interact. energy: -2.130
local terms energy: -116.515099
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -24.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -394.930120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.930120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.930120 (E_RNA)
where:
Base-Base interactions energy: -277.528
where: short stacking energy: -113.885
Base-Backbone interact. energy: -1.096
local terms energy: -116.305738
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -29.757
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: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -295.486120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.486120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.486120 (E_RNA)
where:
Base-Base interactions energy: -185.018
where: short stacking energy: -84.515
Base-Backbone interact. energy: -0.585
local terms energy: -109.883089
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -354.654907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.654907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.654907 (E_RNA)
where:
Base-Base interactions energy: -249.549
where: short stacking energy: -92.093
Base-Backbone interact. energy: -1.272
local terms energy: -103.834220
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -24.566
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -267.363944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.363944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.363944 (E_RNA)
where:
Base-Base interactions energy: -164.960
where: short stacking energy: -80.688
Base-Backbone interact. energy: -0.299
local terms energy: -102.104495
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -15.985
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: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -255.830799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.830799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.830799 (E_RNA)
where:
Base-Base interactions energy: -154.951
where: short stacking energy: -68.024
Base-Backbone interact. energy: -0.764
local terms energy: -100.114917
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -274.853804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.853804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.853804 (E_RNA)
where:
Base-Base interactions energy: -172.754
where: short stacking energy: -69.467
Base-Backbone interact. energy: 0.266
local terms energy: -102.364939
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -15.646
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: 486
Temperature: 1.250000
Total energy: -267.903872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.903872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.903872 (E_RNA)
where:
Base-Base interactions energy: -162.831
where: short stacking energy: -66.626
Base-Backbone interact. energy: -0.782
local terms energy: -104.290825
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -114.247459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.247459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.247459 (E_RNA)
where:
Base-Base interactions energy: -48.211
where: short stacking energy: -38.236
Base-Backbone interact. energy: -0.585
local terms energy: -65.451601
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -112.390524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.390524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.390524 (E_RNA)
where:
Base-Base interactions energy: -45.007
where: short stacking energy: -39.089
Base-Backbone interact. energy: 0.372
local terms energy: -67.755957
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: 2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -409.220594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.220594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.220594 (E_RNA)
where:
Base-Base interactions energy: -284.393
where: short stacking energy: -106.238
Base-Backbone interact. energy: -1.556
local terms energy: -123.271419
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -26.404
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -27.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -377.283093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.283093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.283093 (E_RNA)
where:
Base-Base interactions energy: -272.220
where: short stacking energy: -96.552
Base-Backbone interact. energy: -0.164
local terms energy: -104.899891
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -22.424
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: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -313.093464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.093464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.093464 (E_RNA)
where:
Base-Base interactions energy: -189.789
where: short stacking energy: -100.873
Base-Backbone interact. energy: -0.224
local terms energy: -123.080090
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -30.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -366.843154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.843154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.843154 (E_RNA)
where:
Base-Base interactions energy: -268.261
where: short stacking energy: -100.840
Base-Backbone interact. energy: -0.216
local terms energy: -98.366404
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -24.888
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: 5, replica: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -294.763205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.763205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.763205 (E_RNA)
where:
Base-Base interactions energy: -198.377
where: short stacking energy: -87.875
Base-Backbone interact. energy: -0.030
local terms energy: -96.356609
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -279.406397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.406397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.406397 (E_RNA)
where:
Base-Base interactions energy: -177.620
where: short stacking energy: -85.986
Base-Backbone interact. energy: -0.606
local terms energy: -101.180750
where:
bonds (distance) C4'-P energy: -23.005
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -253.529265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.529265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.529265 (E_RNA)
where:
Base-Base interactions energy: -149.738
where: short stacking energy: -63.736
Base-Backbone interact. energy: -0.596
local terms energy: -103.194862
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -15.923
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: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -235.885932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.885932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.885932 (E_RNA)
where:
Base-Base interactions energy: -147.044
where: short stacking energy: -66.650
Base-Backbone interact. energy: -0.563
local terms energy: -88.278236
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -27.445
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -120.682467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.682467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.682467 (E_RNA)
where:
Base-Base interactions energy: -40.070
where: short stacking energy: -35.285
Base-Backbone interact. energy: -0.240
local terms energy: -80.372153
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -15.472
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: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -130.498667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.498667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.498667 (E_RNA)
where:
Base-Base interactions energy: -46.334
where: short stacking energy: -32.319
Base-Backbone interact. energy: -0.138
local terms energy: -84.027099
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -25.675
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -4.266
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: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -399.766079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.766079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.766079 (E_RNA)
where:
Base-Base interactions energy: -280.856
where: short stacking energy: -107.839
Base-Backbone interact. energy: -0.222
local terms energy: -118.687115
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -27.654
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: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -406.858148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.858148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.858148 (E_RNA)
where:
Base-Base interactions energy: -284.819
where: short stacking energy: -109.962
Base-Backbone interact. energy: -1.159
local terms energy: -120.880446
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -27.820
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: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -375.637368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.637368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.637368 (E_RNA)
where:
Base-Base interactions energy: -260.513
where: short stacking energy: -106.282
Base-Backbone interact. energy: -0.805
local terms energy: -114.319338
where:
bonds (distance) C4'-P energy: -25.439
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -27.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -304.378350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.378350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.378350 (E_RNA)
where:
Base-Base interactions energy: -201.786
where: short stacking energy: -96.227
Base-Backbone interact. energy: -0.640
local terms energy: -101.952280
where:
bonds (distance) C4'-P energy: -22.444
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -26.720
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: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -292.686690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.686690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.686690 (E_RNA)
where:
Base-Base interactions energy: -183.741
where: short stacking energy: -83.271
Base-Backbone interact. energy: -0.570
local terms energy: -108.376333
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -23.824
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: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -293.630656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.630656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.630656 (E_RNA)
where:
Base-Base interactions energy: -192.980
where: short stacking energy: -93.808
Base-Backbone interact. energy: -0.027
local terms energy: -100.623469
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -23.950
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: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -265.256541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.256541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.256541 (E_RNA)
where:
Base-Base interactions energy: -166.670
where: short stacking energy: -75.911
Base-Backbone interact. energy: -0.094
local terms energy: -98.492609
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -247.907826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.907826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.907826 (E_RNA)
where:
Base-Base interactions energy: -145.056
where: short stacking energy: -60.587
Base-Backbone interact. energy: -0.266
local terms energy: -102.585682
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -28.162
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -117.101844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.101844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.101844 (E_RNA)
where:
Base-Base interactions energy: -41.464
where: short stacking energy: -30.107
Base-Backbone interact. energy: -0.312
local terms energy: -75.325635
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -27.013
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -10.604
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: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -108.159884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.159884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.159884 (E_RNA)
where:
Base-Base interactions energy: -34.597
where: short stacking energy: -34.130
Base-Backbone interact. energy: 0.442
local terms energy: -74.004891
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -1.212
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: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -393.533226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.533226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.533226 (E_RNA)
where:
Base-Base interactions energy: -274.679
where: short stacking energy: -104.481
Base-Backbone interact. energy: 1.675
local terms energy: -120.528725
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -26.773
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -27.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -402.512112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.512112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.512112 (E_RNA)
where:
Base-Base interactions energy: -287.499
where: short stacking energy: -105.784
Base-Backbone interact. energy: -1.987
local terms energy: -113.025841
where:
bonds (distance) C4'-P energy: -23.010
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: -28.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -354.747212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.747212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.747212 (E_RNA)
where:
Base-Base interactions energy: -245.240
where: short stacking energy: -98.926
Base-Backbone interact. energy: 0.398
local terms energy: -109.905692
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -25.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -301.232435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.232435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.232435 (E_RNA)
where:
Base-Base interactions energy: -179.587
where: short stacking energy: -87.939
Base-Backbone interact. energy: -0.199
local terms energy: -121.446435
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -27.126
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -28.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -302.129141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.129141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.129141 (E_RNA)
where:
Base-Base interactions energy: -186.990
where: short stacking energy: -92.870
Base-Backbone interact. energy: -0.132
local terms energy: -115.006674
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -29.108
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: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -267.261503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.261503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.261503 (E_RNA)
where:
Base-Base interactions energy: -170.388
where: short stacking energy: -80.568
Base-Backbone interact. energy: -1.045
local terms energy: -95.829042
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -284.187425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.187425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.187425 (E_RNA)
where:
Base-Base interactions energy: -176.777
where: short stacking energy: -83.335
Base-Backbone interact. energy: -0.671
local terms energy: -106.738770
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -20.997
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: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -223.768673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.768673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.768673 (E_RNA)
where:
Base-Base interactions energy: -130.093
where: short stacking energy: -62.738
Base-Backbone interact. energy: -0.174
local terms energy: -93.501785
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -12.247
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: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -122.659370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.659370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.659370 (E_RNA)
where:
Base-Base interactions energy: -35.137
where: short stacking energy: -35.137
Base-Backbone interact. energy: -0.023
local terms energy: -87.499824
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -114.216907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.216907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.216907 (E_RNA)
where:
Base-Base interactions energy: -26.506
where: short stacking energy: -26.806
Base-Backbone interact. energy: 0.275
local terms energy: -87.985071
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -412.118534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.118534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.118534 (E_RNA)
where:
Base-Base interactions energy: -289.881
where: short stacking energy: -107.783
Base-Backbone interact. energy: -2.523
local terms energy: -119.714530
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -24.734
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -26.719
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: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -390.500805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.500805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.500805 (E_RNA)
where:
Base-Base interactions energy: -274.824
where: short stacking energy: -109.061
Base-Backbone interact. energy: -0.073
local terms energy: -115.604015
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -29.209
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: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -364.596936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.596936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.596936 (E_RNA)
where:
Base-Base interactions energy: -253.059
where: short stacking energy: -99.894
Base-Backbone interact. energy: 0.783
local terms energy: -112.321883
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -24.901
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -27.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -295.944192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.944192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.944192 (E_RNA)
where:
Base-Base interactions energy: -185.367
where: short stacking energy: -88.426
Base-Backbone interact. energy: -1.562
local terms energy: -109.015545
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -25.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -278.275571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.275571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.275571 (E_RNA)
where:
Base-Base interactions energy: -176.947
where: short stacking energy: -77.257
Base-Backbone interact. energy: -0.864
local terms energy: -100.465111
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -28.191
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -277.312187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.312187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.312187 (E_RNA)
where:
Base-Base interactions energy: -180.355
where: short stacking energy: -79.579
Base-Backbone interact. energy: -0.868
local terms energy: -96.089055
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -16.933
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: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -269.186587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.186587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.186587 (E_RNA)
where:
Base-Base interactions energy: -172.970
where: short stacking energy: -75.856
Base-Backbone interact. energy: -0.578
local terms energy: -95.638858
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -18.552
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: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -211.070941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.070941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.070941 (E_RNA)
where:
Base-Base interactions energy: -125.711
where: short stacking energy: -55.739
Base-Backbone interact. energy: -0.455
local terms energy: -84.904075
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -113.907058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.907058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.907058 (E_RNA)
where:
Base-Base interactions energy: -29.769
where: short stacking energy: -22.721
Base-Backbone interact. energy: -0.272
local terms energy: -83.865860
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -19.596
tors. eta vs tors. theta energy: 1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -116.044435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.044435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.044435 (E_RNA)
where:
Base-Base interactions energy: -45.331
where: short stacking energy: -41.969
Base-Backbone interact. energy: 0.732
local terms energy: -71.445525
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -7.672
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: 1, replica: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -419.430454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.430454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.430454 (E_RNA)
where:
Base-Base interactions energy: -294.146
where: short stacking energy: -110.058
Base-Backbone interact. energy: 1.007
local terms energy: -126.291393
where:
bonds (distance) C4'-P energy: -27.483
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -24.829
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: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -387.325294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.325294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.325294 (E_RNA)
where:
Base-Base interactions energy: -266.393
where: short stacking energy: -94.755
Base-Backbone interact. energy: -0.987
local terms energy: -119.945721
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -373.433345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.433345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.433345 (E_RNA)
where:
Base-Base interactions energy: -263.566
where: short stacking energy: -112.101
Base-Backbone interact. energy: 0.757
local terms energy: -110.624077
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -28.780
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: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -305.466167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.466167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.466167 (E_RNA)
where:
Base-Base interactions energy: -192.221
where: short stacking energy: -84.557
Base-Backbone interact. energy: -0.523
local terms energy: -112.722133
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -26.050
flat angles C4'-P-C4' energy: -26.880
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -292.440556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.440556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.440556 (E_RNA)
where:
Base-Base interactions energy: -184.323
where: short stacking energy: -92.493
Base-Backbone interact. energy: -0.014
local terms energy: -108.104292
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -27.825
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: 491
Temperature: 1.150000
Total energy: -275.075419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.075419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.075419 (E_RNA)
where:
Base-Base interactions energy: -170.481
where: short stacking energy: -81.004
Base-Backbone interact. energy: -0.030
local terms energy: -104.564539
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -297.297798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.297798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.297798 (E_RNA)
where:
Base-Base interactions energy: -197.599
where: short stacking energy: -93.950
Base-Backbone interact. energy: -0.011
local terms energy: -99.688264
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -230.733827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.733827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.733827 (E_RNA)
where:
Base-Base interactions energy: -131.854
where: short stacking energy: -70.078
Base-Backbone interact. energy: 1.728
local terms energy: -100.607788
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -120.739184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.739184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.739184 (E_RNA)
where:
Base-Base interactions energy: -42.716
where: short stacking energy: -42.261
Base-Backbone interact. energy: 0.127
local terms energy: -78.150115
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -14.014
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: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -127.588074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.588074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.588074 (E_RNA)
where:
Base-Base interactions energy: -50.720
where: short stacking energy: -49.070
Base-Backbone interact. energy: -0.341
local terms energy: -76.526630
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -25.840
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -3.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -410.874484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.874484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.874484 (E_RNA)
where:
Base-Base interactions energy: -294.552
where: short stacking energy: -108.789
Base-Backbone interact. energy: 2.780
local terms energy: -119.102758
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -382.644186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.644186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.644186 (E_RNA)
where:
Base-Base interactions energy: -268.742
where: short stacking energy: -104.557
Base-Backbone interact. energy: -0.752
local terms energy: -113.150213
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -27.122
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -25.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -376.515781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.515781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.515781 (E_RNA)
where:
Base-Base interactions energy: -262.136
where: short stacking energy: -103.350
Base-Backbone interact. energy: -0.254
local terms energy: -114.125811
where:
bonds (distance) C4'-P energy: -24.371
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -24.702
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -22.986
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: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -301.985902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.985902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.985902 (E_RNA)
where:
Base-Base interactions energy: -209.394
where: short stacking energy: -89.433
Base-Backbone interact. energy: -1.034
local terms energy: -91.557834
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -23.485
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -14.569
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: 492
Temperature: 1.100000
Total energy: -297.714761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.714761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.714761 (E_RNA)
where:
Base-Base interactions energy: -192.804
where: short stacking energy: -83.798
Base-Backbone interact. energy: -0.122
local terms energy: -104.789079
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -23.790
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: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -286.874195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.874195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.874195 (E_RNA)
where:
Base-Base interactions energy: -182.876
where: short stacking energy: -93.861
Base-Backbone interact. energy: -0.204
local terms energy: -103.794171
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -26.484
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: 492
Temperature: 1.200000
Total energy: -263.967794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.967794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.967794 (E_RNA)
where:
Base-Base interactions energy: -171.583
where: short stacking energy: -83.323
Base-Backbone interact. energy: 0.400
local terms energy: -92.784477
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -240.422898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.422898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.422898 (E_RNA)
where:
Base-Base interactions energy: -150.937
where: short stacking energy: -69.756
Base-Backbone interact. energy: -0.227
local terms energy: -89.258182
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -122.732917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.732917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.732917 (E_RNA)
where:
Base-Base interactions energy: -48.724
where: short stacking energy: -35.826
Base-Backbone interact. energy: -0.203
local terms energy: -73.805785
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -105.273999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.273999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.273999 (E_RNA)
where:
Base-Base interactions energy: -24.474
where: short stacking energy: -24.474
Base-Backbone interact. energy: -0.336
local terms energy: -80.463410
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: 0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -397.655250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.655250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.655250 (E_RNA)
where:
Base-Base interactions energy: -280.432
where: short stacking energy: -108.454
Base-Backbone interact. energy: -0.557
local terms energy: -116.666612
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -28.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -375.348410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.348410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.348410 (E_RNA)
where:
Base-Base interactions energy: -268.243
where: short stacking energy: -102.456
Base-Backbone interact. energy: -0.396
local terms energy: -106.709906
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -24.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -380.060328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.060328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.060328 (E_RNA)
where:
Base-Base interactions energy: -269.678
where: short stacking energy: -107.216
Base-Backbone interact. energy: -0.102
local terms energy: -110.280493
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -22.426
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: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -301.988281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.988281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.988281 (E_RNA)
where:
Base-Base interactions energy: -185.667
where: short stacking energy: -89.305
Base-Backbone interact. energy: -0.197
local terms energy: -116.124711
where:
bonds (distance) C4'-P energy: -27.542
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -24.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -310.271505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.271505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.271505 (E_RNA)
where:
Base-Base interactions energy: -225.544
where: short stacking energy: -81.398
Base-Backbone interact. energy: -2.410
local terms energy: -82.317698
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -278.852165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.852165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.852165 (E_RNA)
where:
Base-Base interactions energy: -191.589
where: short stacking energy: -87.569
Base-Backbone interact. energy: 0.182
local terms energy: -87.445495
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -282.438524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.438524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.438524 (E_RNA)
where:
Base-Base interactions energy: -182.256
where: short stacking energy: -75.129
Base-Backbone interact. energy: -0.176
local terms energy: -100.006254
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -121.773574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.773574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.773574 (E_RNA)
where:
Base-Base interactions energy: -60.775
where: short stacking energy: -56.409
Base-Backbone interact. energy: 2.278
local terms energy: -63.276391
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -257.556514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.556514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.556514 (E_RNA)
where:
Base-Base interactions energy: -161.961
where: short stacking energy: -68.754
Base-Backbone interact. energy: 0.592
local terms energy: -96.187179
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -25.080
flat angles C4'-P-C4' energy: -21.769
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -112.681449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.681449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.681449 (E_RNA)
where:
Base-Base interactions energy: -43.529
where: short stacking energy: -42.670
Base-Backbone interact. energy: -0.280
local terms energy: -68.872110
where:
bonds (distance) C4'-P energy: -3.293
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -18.020
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: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -411.314261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.314261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.314261 (E_RNA)
where:
Base-Base interactions energy: -288.218
where: short stacking energy: -115.869
Base-Backbone interact. energy: -0.829
local terms energy: -122.266645
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -24.506
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -32.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -366.573742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.573742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.573742 (E_RNA)
where:
Base-Base interactions energy: -258.335
where: short stacking energy: -97.423
Base-Backbone interact. energy: -1.082
local terms energy: -107.156986
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -27.035
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -25.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -386.952325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.952325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.952325 (E_RNA)
where:
Base-Base interactions energy: -271.454
where: short stacking energy: -101.635
Base-Backbone interact. energy: -0.026
local terms energy: -115.472172
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -23.907
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: 4, replica: 5
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -297.252201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.252201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.252201 (E_RNA)
where:
Base-Base interactions energy: -194.154
where: short stacking energy: -85.586
Base-Backbone interact. energy: -0.639
local terms energy: -102.458822
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -302.276797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.276797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.276797 (E_RNA)
where:
Base-Base interactions energy: -201.798
where: short stacking energy: -83.479
Base-Backbone interact. energy: -0.317
local terms energy: -100.162022
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -20.774
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: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -265.309052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.309052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.309052 (E_RNA)
where:
Base-Base interactions energy: -172.857
where: short stacking energy: -78.367
Base-Backbone interact. energy: -0.428
local terms energy: -92.024240
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -273.894336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.894336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.894336 (E_RNA)
where:
Base-Base interactions energy: -175.379
where: short stacking energy: -76.054
Base-Backbone interact. energy: 0.151
local terms energy: -98.665448
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -21.702
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: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -116.931661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.931661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.931661 (E_RNA)
where:
Base-Base interactions energy: -33.037
where: short stacking energy: -27.870
Base-Backbone interact. energy: 0.055
local terms energy: -83.949870
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -13.054
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: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -219.972603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.972603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.972603 (E_RNA)
where:
Base-Base interactions energy: -143.285
where: short stacking energy: -62.091
Base-Backbone interact. energy: 1.299
local terms energy: -77.986624
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -112.165720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.165720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.165720 (E_RNA)
where:
Base-Base interactions energy: -33.175
where: short stacking energy: -31.964
Base-Backbone interact. energy: 0.388
local terms energy: -79.378829
where:
bonds (distance) C4'-P energy: -22.285
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: 1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -409.259553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.259553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.259553 (E_RNA)
where:
Base-Base interactions energy: -286.347
where: short stacking energy: -105.849
Base-Backbone interact. energy: -1.176
local terms energy: -121.736148
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -29.108
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: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -390.364847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.364847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.364847 (E_RNA)
where:
Base-Base interactions energy: -273.033
where: short stacking energy: -111.547
Base-Backbone interact. energy: 1.423
local terms energy: -118.754633
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -26.736
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: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -357.728965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.728965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.728965 (E_RNA)
where:
Base-Base interactions energy: -254.738
where: short stacking energy: -92.881
Base-Backbone interact. energy: -1.395
local terms energy: -101.595625
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -15.000
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: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -316.833357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.833357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.833357 (E_RNA)
where:
Base-Base interactions energy: -209.241
where: short stacking energy: -95.156
Base-Backbone interact. energy: 0.910
local terms energy: -108.502577
where:
bonds (distance) C4'-P energy: -23.963
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -299.473914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.473914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.473914 (E_RNA)
where:
Base-Base interactions energy: -202.492
where: short stacking energy: -88.221
Base-Backbone interact. energy: -0.241
local terms energy: -96.740751
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -16.773
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: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -288.855657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.855657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.855657 (E_RNA)
where:
Base-Base interactions energy: -193.997
where: short stacking energy: -77.126
Base-Backbone interact. energy: 2.113
local terms energy: -96.970924
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -24.935
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -16.230
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: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -259.156459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.156459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.156459 (E_RNA)
where:
Base-Base interactions energy: -155.937
where: short stacking energy: -66.685
Base-Backbone interact. energy: 0.292
local terms energy: -103.511554
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -229.098113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.098113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.098113 (E_RNA)
where:
Base-Base interactions energy: -142.528
where: short stacking energy: -59.073
Base-Backbone interact. energy: -1.140
local terms energy: -85.430681
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -120.622910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.622910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.622910 (E_RNA)
where:
Base-Base interactions energy: -43.776
where: short stacking energy: -43.776
Base-Backbone interact. energy: -0.077
local terms energy: -76.770334
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -109.395381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.395381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.395381 (E_RNA)
where:
Base-Base interactions energy: -43.739
where: short stacking energy: -43.739
Base-Backbone interact. energy: -0.364
local terms energy: -65.292270
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -10.573
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: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -412.873021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.873021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.873021 (E_RNA)
where:
Base-Base interactions energy: -300.169
where: short stacking energy: -111.656
Base-Backbone interact. energy: -1.496
local terms energy: -111.208487
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -29.108
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: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -394.987993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.987993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.987993 (E_RNA)
where:
Base-Base interactions energy: -279.261
where: short stacking energy: -109.670
Base-Backbone interact. energy: 0.730
local terms energy: -116.456191
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -26.503
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -29.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -380.344294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.344294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.344294 (E_RNA)
where:
Base-Base interactions energy: -269.603
where: short stacking energy: -108.430
Base-Backbone interact. energy: -0.871
local terms energy: -109.870069
where:
bonds (distance) C4'-P energy: -26.558
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -24.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -306.993003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.993003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.993003 (E_RNA)
where:
Base-Base interactions energy: -199.696
where: short stacking energy: -87.233
Base-Backbone interact. energy: -0.260
local terms energy: -107.036885
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -284.360004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.360004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.360004 (E_RNA)
where:
Base-Base interactions energy: -184.540
where: short stacking energy: -90.921
Base-Backbone interact. energy: 1.067
local terms energy: -100.886961
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -23.615
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -276.669054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.669054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.669054 (E_RNA)
where:
Base-Base interactions energy: -179.391
where: short stacking energy: -87.004
Base-Backbone interact. energy: 0.335
local terms energy: -97.612518
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -262.505532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.505532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.505532 (E_RNA)
where:
Base-Base interactions energy: -166.556
where: short stacking energy: -74.335
Base-Backbone interact. energy: -0.226
local terms energy: -95.723074
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -236.645017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.645017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.645017 (E_RNA)
where:
Base-Base interactions energy: -145.188
where: short stacking energy: -71.554
Base-Backbone interact. energy: 1.049
local terms energy: -92.506638
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -20.356
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: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -118.169035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.169035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.169035 (E_RNA)
where:
Base-Base interactions energy: -35.561
where: short stacking energy: -36.094
Base-Backbone interact. energy: -0.487
local terms energy: -82.120873
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -106.273180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.273180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.273180 (E_RNA)
where:
Base-Base interactions energy: -35.694
where: short stacking energy: -32.335
Base-Backbone interact. energy: 1.443
local terms energy: -72.022132
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -14.321
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: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -404.626552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.626552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.626552 (E_RNA)
where:
Base-Base interactions energy: -288.560
where: short stacking energy: -110.070
Base-Backbone interact. energy: -1.421
local terms energy: -114.645623
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -22.976
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -26.872
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: 497
Temperature: 0.950000
Total energy: -381.747150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.747150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.747150 (E_RNA)
where:
Base-Base interactions energy: -264.766
where: short stacking energy: -107.857
Base-Backbone interact. energy: 0.462
local terms energy: -117.443802
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -29.023
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: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -371.105689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.105689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.105689 (E_RNA)
where:
Base-Base interactions energy: -249.236
where: short stacking energy: -94.187
Base-Backbone interact. energy: -0.719
local terms energy: -121.149931
where:
bonds (distance) C4'-P energy: -26.404
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -27.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -327.955415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.955415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.955415 (E_RNA)
where:
Base-Base interactions energy: -217.764
where: short stacking energy: -90.428
Base-Backbone interact. energy: 0.862
local terms energy: -111.053708
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -298.308245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.308245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.308245 (E_RNA)
where:
Base-Base interactions energy: -195.636
where: short stacking energy: -85.816
Base-Backbone interact. energy: -0.098
local terms energy: -102.573907
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -298.741255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.741255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.741255 (E_RNA)
where:
Base-Base interactions energy: -188.373
where: short stacking energy: -81.120
Base-Backbone interact. energy: -0.362
local terms energy: -110.005648
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -250.768729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.768729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.768729 (E_RNA)
where:
Base-Base interactions energy: -159.380
where: short stacking energy: -76.138
Base-Backbone interact. energy: -0.468
local terms energy: -90.920538
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -208.544599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.544599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.544599 (E_RNA)
where:
Base-Base interactions energy: -135.375
where: short stacking energy: -44.783
Base-Backbone interact. energy: -0.297
local terms energy: -72.872630
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -7.813
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: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -117.085927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.085927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.085927 (E_RNA)
where:
Base-Base interactions energy: -46.495
where: short stacking energy: -46.495
Base-Backbone interact. energy: -0.749
local terms energy: -69.841244
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: 2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -119.848803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.848803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.848803 (E_RNA)
where:
Base-Base interactions energy: -35.326
where: short stacking energy: -30.069
Base-Backbone interact. energy: -0.591
local terms energy: -83.932449
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: 2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -407.228559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.228559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.228559 (E_RNA)
where:
Base-Base interactions energy: -292.516
where: short stacking energy: -106.638
Base-Backbone interact. energy: 2.102
local terms energy: -116.814650
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -29.512
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -25.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -393.169660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.169660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.169660 (E_RNA)
where:
Base-Base interactions energy: -269.476
where: short stacking energy: -109.283
Base-Backbone interact. energy: -0.146
local terms energy: -123.547304
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -21.657
tors. eta vs tors. theta energy: -30.120
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: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -372.981715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.981715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.981715 (E_RNA)
where:
Base-Base interactions energy: -258.305
where: short stacking energy: -101.276
Base-Backbone interact. energy: -0.337
local terms energy: -114.340276
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -22.430
tors. eta vs tors. theta energy: -26.280
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: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -305.922919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.922919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.922919 (E_RNA)
where:
Base-Base interactions energy: -199.941
where: short stacking energy: -91.180
Base-Backbone interact. energy: -0.278
local terms energy: -105.703322
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -300.043274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.043274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.043274 (E_RNA)
where:
Base-Base interactions energy: -197.241
where: short stacking energy: -87.784
Base-Backbone interact. energy: -0.569
local terms energy: -102.233217
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -27.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -288.648560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.648560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.648560 (E_RNA)
where:
Base-Base interactions energy: -190.027
where: short stacking energy: -69.668
Base-Backbone interact. energy: -0.451
local terms energy: -98.170822
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -212.340365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.340365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.340365 (E_RNA)
where:
Base-Base interactions energy: -119.749
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.585
local terms energy: -92.007006
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -17.049
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: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -246.783735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.783735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.783735 (E_RNA)
where:
Base-Base interactions energy: -151.946
where: short stacking energy: -66.047
Base-Backbone interact. energy: -0.057
local terms energy: -94.780530
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -126.204283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.204283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.204283 (E_RNA)
where:
Base-Base interactions energy: -45.753
where: short stacking energy: -42.532
Base-Backbone interact. energy: 0.001
local terms energy: -80.452353
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -8.034
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: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -111.189967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.189967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.189967 (E_RNA)
where:
Base-Base interactions energy: -29.882
where: short stacking energy: -23.088
Base-Backbone interact. energy: 0.011
local terms energy: -81.319195
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -407.911221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.911221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.911221 (E_RNA)
where:
Base-Base interactions energy: -278.854
where: short stacking energy: -106.511
Base-Backbone interact. energy: -1.979
local terms energy: -127.078704
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -28.407
flat angles C4'-P-C4' energy: -29.023
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -27.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -391.016664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.016664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.016664 (E_RNA)
where:
Base-Base interactions energy: -278.668
where: short stacking energy: -102.031
Base-Backbone interact. energy: -0.103
local terms energy: -112.245469
where:
bonds (distance) C4'-P energy: -26.892
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -24.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -369.627261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.627261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.627261 (E_RNA)
where:
Base-Base interactions energy: -264.949
where: short stacking energy: -95.692
Base-Backbone interact. energy: -1.200
local terms energy: -103.478325
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -22.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -315.239141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.239141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.239141 (E_RNA)
where:
Base-Base interactions energy: -198.359
where: short stacking energy: -93.308
Base-Backbone interact. energy: -0.111
local terms energy: -116.768892
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -25.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -285.571743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.571743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.571743 (E_RNA)
where:
Base-Base interactions energy: -178.157
where: short stacking energy: -78.699
Base-Backbone interact. energy: -0.451
local terms energy: -106.963084
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -29.041
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -299.151048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.151048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.151048 (E_RNA)
where:
Base-Base interactions energy: -187.214
where: short stacking energy: -88.852
Base-Backbone interact. energy: -0.275
local terms energy: -111.661853
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -25.701
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -291.401919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.401919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.401919 (E_RNA)
where:
Base-Base interactions energy: -190.182
where: short stacking energy: -82.297
Base-Backbone interact. energy: -0.179
local terms energy: -101.040315
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -240.073081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.073081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.073081 (E_RNA)
where:
Base-Base interactions energy: -146.694
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.268
local terms energy: -93.111164
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -116.653255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.653255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.653255 (E_RNA)
where:
Base-Base interactions energy: -42.776
where: short stacking energy: -33.645
Base-Backbone interact. energy: -0.447
local terms energy: -73.430481
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -115.595961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.595961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.595961 (E_RNA)
where:
Base-Base interactions energy: -49.868
where: short stacking energy: -39.599
Base-Backbone interact. energy: 1.756
local terms energy: -67.484118
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: 0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -397.387284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.387284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.387284 (E_RNA)
where:
Base-Base interactions energy: -280.669
where: short stacking energy: -101.154
Base-Backbone interact. energy: -0.608
local terms energy: -116.109437
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -26.842
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -26.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -378.170125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.170125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.170125 (E_RNA)
where:
Base-Base interactions energy: -259.391
where: short stacking energy: -102.450
Base-Backbone interact. energy: -2.273
local terms energy: -116.506046
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -26.028
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -33.837
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: 3, replica: 9
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -357.592231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.592231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.592231 (E_RNA)
where:
Base-Base interactions energy: -243.879
where: short stacking energy: -97.685
Base-Backbone interact. energy: 0.403
local terms energy: -114.115897
where:
bonds (distance) C4'-P energy: -26.997
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -26.698
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: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -289.317632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.317632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.317632 (E_RNA)
where:
Base-Base interactions energy: -176.344
where: short stacking energy: -80.258
Base-Backbone interact. energy: -0.400
local terms energy: -112.573544
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -26.573
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: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -284.248628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.248628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.248628 (E_RNA)
where:
Base-Base interactions energy: -183.364
where: short stacking energy: -75.567
Base-Backbone interact. energy: 0.954
local terms energy: -101.838756
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -286.078139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.078139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.078139 (E_RNA)
where:
Base-Base interactions energy: -189.021
where: short stacking energy: -71.592
Base-Backbone interact. energy: 0.128
local terms energy: -97.184915
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -279.889752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.889752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.889752 (E_RNA)
where:
Base-Base interactions energy: -190.201
where: short stacking energy: -65.270
Base-Backbone interact. energy: 0.160
local terms energy: -89.849251
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -245.029110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.029110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.029110 (E_RNA)
where:
Base-Base interactions energy: -165.292
where: short stacking energy: -68.965
Base-Backbone interact. energy: -2.521
local terms energy: -77.215220
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -24.273
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -115.700838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.700838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.700838 (E_RNA)
where:
Base-Base interactions energy: -52.168
where: short stacking energy: -38.087
Base-Backbone interact. energy: 1.822
local terms energy: -65.355504
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -10.059
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: 10, replica: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -111.858606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.858606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.858606 (E_RNA)
where:
Base-Base interactions energy: -35.078
where: short stacking energy: -27.365
Base-Backbone interact. energy: -0.215
local terms energy: -76.565945
where:
bonds (distance) C4'-P energy: -27.692
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -14.295
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: 1, replica: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -393.542209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.542209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.542209 (E_RNA)
where:
Base-Base interactions energy: -276.936
where: short stacking energy: -107.304
Base-Backbone interact. energy: -0.859
local terms energy: -115.747467
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -28.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -382.740876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.740876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.740876 (E_RNA)
where:
Base-Base interactions energy: -256.887
where: short stacking energy: -110.215
Base-Backbone interact. energy: -2.466
local terms energy: -123.387740
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -30.324
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: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -366.849556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.849556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.849556 (E_RNA)
where:
Base-Base interactions energy: -253.615
where: short stacking energy: -102.815
Base-Backbone interact. energy: 1.898
local terms energy: -115.133021
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -25.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -311.872535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.872535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.872535 (E_RNA)
where:
Base-Base interactions energy: -195.361
where: short stacking energy: -95.498
Base-Backbone interact. energy: 0.156
local terms energy: -116.667573
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -28.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -298.335004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.335004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.335004 (E_RNA)
where:
Base-Base interactions energy: -190.976
where: short stacking energy: -93.863
Base-Backbone interact. energy: -0.070
local terms energy: -107.289333
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -25.725
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: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -285.514012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.514012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.514012 (E_RNA)
where:
Base-Base interactions energy: -184.801
where: short stacking energy: -87.942
Base-Backbone interact. energy: 0.325
local terms energy: -101.038714
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -19.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -277.169764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.169764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.169764 (E_RNA)
where:
Base-Base interactions energy: -182.569
where: short stacking energy: -87.084
Base-Backbone interact. energy: -0.446
local terms energy: -94.154647
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -20.612
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: 7
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -245.031593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.031593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.031593 (E_RNA)
where:
Base-Base interactions energy: -158.768
where: short stacking energy: -69.800
Base-Backbone interact. energy: 0.556
local terms energy: -86.820427
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -14.688
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: 9, replica: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -115.717890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.717890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.717890 (E_RNA)
where:
Base-Base interactions energy: -34.135
where: short stacking energy: -31.464
Base-Backbone interact. energy: 0.032
local terms energy: -81.615319
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -25.034
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: 1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -116.919019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.919019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.919019 (E_RNA)
where:
Base-Base interactions energy: -40.848
where: short stacking energy: -35.152
Base-Backbone interact. energy: -0.282
local terms energy: -75.789966
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: 0.431
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)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 35046283
moves confirmed later: 41823090
all moves confirmed: 76869373
percent of confirmed moves: 9.608672
current total energy: -358.603053
recalc. total energy: -358.603053
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 23895225
moves confirmed later: 27217566
all moves confirmed: 51112791
percent of confirmed moves: 6.389099
current total energy: -330.675218
recalc. total energy: -330.675218
replica 9 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 23801739
moves confirmed later: 26911207
all moves confirmed: 50712946
percent of confirmed moves: 6.339118
current total energy: -324.040811
recalc. total energy: -324.040811
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 29227343
moves confirmed later: 34162001
all moves confirmed: 63389344
percent of confirmed moves: 7.923668
current total energy: -226.164968
recalc. total energy: -226.164968
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 26095362
moves confirmed later: 29919572
all moves confirmed: 56014934
percent of confirmed moves: 7.001867
current total energy: -246.392430
recalc. total energy: -246.392430
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 27213297
moves confirmed later: 31477695
all moves confirmed: 58690992
percent of confirmed moves: 7.336374
current total energy: -229.436619
recalc. total energy: -229.436619
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 29953241
moves confirmed later: 35153638
all moves confirmed: 65106879
percent of confirmed moves: 8.138360
current total energy: -232.013580
recalc. total energy: -232.013580
replica 7 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 27692930
moves confirmed later: 32156680
all moves confirmed: 59849610
percent of confirmed moves: 7.481201
current total energy: -167.142440
recalc. total energy: -167.142440
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 42781521
moves confirmed later: 51950102
all moves confirmed: 94731623
percent of confirmed moves: 11.841453
current total energy: -107.088022
recalc. total energy: -107.088022
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 37102005
moves confirmed later: 44503574
all moves confirmed: 81605579
percent of confirmed moves: 10.200697
current total energy: -56.298338
recalc. total energy: -56.298338
out arg RESULTS//1/2liv-17c0d6da_01
Time of doing 8000000 iterations: 3107.503 seconds