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-e1fdd48d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LIV-e1fdd48d/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-e1fdd48d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LIV-e1fdd48d/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-e1fdd48d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LIV-e1fdd48d/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-e1fdd48d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LIV-e1fdd48d/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-e1fdd48d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LIV-e1fdd48d/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-e1fdd48d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LIV-e1fdd48d/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-e1fdd48d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LIV-e1fdd48d/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-e1fdd48d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LIV-e1fdd48d/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-e1fdd48d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LIV-e1fdd48d/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-e1fdd48d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LIV-e1fdd48d/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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -214.160231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.160231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.160231 (E_RNA)
where:
Base-Base interactions energy: -114.482
where: short stacking energy: -68.051
Base-Backbone interact. energy: -0.679
local terms energy: -99.000052
where:
bonds (distance) C4'-P energy: -26.639
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -257.760238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.760238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.760238 (E_RNA)
where:
Base-Base interactions energy: -157.890
where: short stacking energy: -77.164
Base-Backbone interact. energy: 0.106
local terms energy: -99.976110
where:
bonds (distance) C4'-P energy: -25.033
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -232.178738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.178738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.178738 (E_RNA)
where:
Base-Base interactions energy: -133.597
where: short stacking energy: -80.020
Base-Backbone interact. energy: -0.120
local terms energy: -98.462274
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -27.773
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -236.464127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.464127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.464127 (E_RNA)
where:
Base-Base interactions energy: -143.111
where: short stacking energy: -66.708
Base-Backbone interact. energy: 1.523
local terms energy: -94.875707
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -201.440829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.440829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.440829 (E_RNA)
where:
Base-Base interactions energy: -101.437
where: short stacking energy: -66.048
Base-Backbone interact. energy: -1.060
local terms energy: -98.944114
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 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: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -273.934640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.934640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.934640 (E_RNA)
where:
Base-Base interactions energy: -172.683
where: short stacking energy: -85.730
Base-Backbone interact. energy: -2.220
local terms energy: -99.032467
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -156.192354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.192354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.192354 (E_RNA)
where:
Base-Base interactions energy: -82.339
where: short stacking energy: -37.068
Base-Backbone interact. energy: 0.783
local terms energy: -74.636713
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -21.825
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -241.329960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.329960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.329960 (E_RNA)
where:
Base-Base interactions energy: -134.086
where: short stacking energy: -81.288
Base-Backbone interact. energy: -2.352
local terms energy: -104.892762
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -27.207
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -267.040874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.040874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.040874 (E_RNA)
where:
Base-Base interactions energy: -164.276
where: short stacking energy: -68.961
Base-Backbone interact. energy: -0.552
local terms energy: -102.213059
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -18.429
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: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -283.753912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.753912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.753912 (E_RNA)
where:
Base-Base interactions energy: -175.230
where: short stacking energy: -90.385
Base-Backbone interact. energy: -0.194
local terms energy: -108.330206
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -27.505
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -25.159
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: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -277.815690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.815690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.815690 (E_RNA)
where:
Base-Base interactions energy: -175.080
where: short stacking energy: -87.050
Base-Backbone interact. energy: -0.553
local terms energy: -102.182708
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -27.643
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: 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: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -127.569126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.569126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.569126 (E_RNA)
where:
Base-Base interactions energy: -61.764
where: short stacking energy: -35.051
Base-Backbone interact. energy: 1.816
local terms energy: -67.621300
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: 0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -264.356726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.356726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.356726 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -79.575
Base-Backbone interact. energy: -0.970
local terms energy: -116.932821
where:
bonds (distance) C4'-P energy: -26.343
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -26.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -236.190680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.190680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.190680 (E_RNA)
where:
Base-Base interactions energy: -129.710
where: short stacking energy: -75.323
Base-Backbone interact. energy: 1.027
local terms energy: -107.507051
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -288.811974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.811974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.811974 (E_RNA)
where:
Base-Base interactions energy: -172.704
where: short stacking energy: -82.394
Base-Backbone interact. energy: -0.312
local terms energy: -115.796592
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -28.117
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -14.506
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: 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: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -277.505147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.505147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.505147 (E_RNA)
where:
Base-Base interactions energy: -182.558
where: short stacking energy: -83.628
Base-Backbone interact. energy: -0.169
local terms energy: -94.777419
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -275.379611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.379611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.379611 (E_RNA)
where:
Base-Base interactions energy: -174.879
where: short stacking energy: -85.742
Base-Backbone interact. energy: 1.264
local terms energy: -101.764550
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -127.099359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.099359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.099359 (E_RNA)
where:
Base-Base interactions energy: -54.423
where: short stacking energy: -41.600
Base-Backbone interact. energy: -0.268
local terms energy: -72.407713
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -1.381
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: 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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -263.772430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.772430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.772430 (E_RNA)
where:
Base-Base interactions energy: -152.775
where: short stacking energy: -92.730
Base-Backbone interact. energy: 0.357
local terms energy: -111.354177
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -307.573287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.573287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.573287 (E_RNA)
where:
Base-Base interactions energy: -195.348
where: short stacking energy: -88.359
Base-Backbone interact. energy: 1.287
local terms energy: -113.511980
where:
bonds (distance) C4'-P energy: -26.089
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -242.314883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.314883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.314883 (E_RNA)
where:
Base-Base interactions energy: -141.257
where: short stacking energy: -88.114
Base-Backbone interact. energy: -0.023
local terms energy: -101.034586
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -298.756085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.756085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.756085 (E_RNA)
where:
Base-Base interactions energy: -195.403
where: short stacking energy: -95.206
Base-Backbone interact. energy: -0.210
local terms energy: -103.142817
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -265.545312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.545312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.545312 (E_RNA)
where:
Base-Base interactions energy: -170.525
where: short stacking energy: -73.970
Base-Backbone interact. energy: 1.929
local terms energy: -96.949377
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -155.401201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.401201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.401201 (E_RNA)
where:
Base-Base interactions energy: -82.775
where: short stacking energy: -46.045
Base-Backbone interact. energy: -0.451
local terms energy: -72.175143
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -11.020
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: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -122.490615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.490615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.490615 (E_RNA)
where:
Base-Base interactions energy: -45.588
where: short stacking energy: -36.817
Base-Backbone interact. energy: -0.199
local terms energy: -76.703665
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -319.798315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.798315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.798315 (E_RNA)
where:
Base-Base interactions energy: -200.650
where: short stacking energy: -97.288
Base-Backbone interact. energy: -0.350
local terms energy: -118.798934
where:
bonds (distance) C4'-P energy: -25.987
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -26.727
flat angles P-C4'-P energy: -21.156
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: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -261.364226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.364226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.364226 (E_RNA)
where:
Base-Base interactions energy: -157.470
where: short stacking energy: -72.017
Base-Backbone interact. energy: -1.028
local terms energy: -102.866671
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -15.034
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: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -302.719232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.719232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.719232 (E_RNA)
where:
Base-Base interactions energy: -193.966
where: short stacking energy: -82.019
Base-Backbone interact. energy: -2.253
local terms energy: -106.499711
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -29.548
flat angles C4'-P-C4' energy: -26.258
flat angles P-C4'-P energy: -15.620
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: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -225.064917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.064917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.064917 (E_RNA)
where:
Base-Base interactions energy: -120.937
where: short stacking energy: -71.218
Base-Backbone interact. energy: -1.267
local terms energy: -102.860587
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -26.448
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -289.481175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.481175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.481175 (E_RNA)
where:
Base-Base interactions energy: -188.582
where: short stacking energy: -88.718
Base-Backbone interact. energy: -1.860
local terms energy: -99.039265
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -11.221
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: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -197.244266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.244266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.244266 (E_RNA)
where:
Base-Base interactions energy: -103.706
where: short stacking energy: -51.895
Base-Backbone interact. energy: -0.115
local terms energy: -93.423050
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -145.217138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.217138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.217138 (E_RNA)
where:
Base-Base interactions energy: -62.887
where: short stacking energy: -59.179
Base-Backbone interact. energy: -0.785
local terms energy: -81.544959
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -15.317
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: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -131.543761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.543761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.543761 (E_RNA)
where:
Base-Base interactions energy: -54.255
where: short stacking energy: -38.993
Base-Backbone interact. energy: 2.038
local terms energy: -79.326718
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: -314.079197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.079197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.079197 (E_RNA)
where:
Base-Base interactions energy: -188.165
where: short stacking energy: -100.416
Base-Backbone interact. energy: -0.245
local terms energy: -125.669055
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -27.182
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: 9
Temperature: 0.950000
Total energy: -322.684061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.684061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.684061 (E_RNA)
where:
Base-Base interactions energy: -202.436
where: short stacking energy: -99.838
Base-Backbone interact. energy: -1.194
local terms energy: -119.054417
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -28.773
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: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -256.338796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.338796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.338796 (E_RNA)
where:
Base-Base interactions energy: -155.405
where: short stacking energy: -66.676
Base-Backbone interact. energy: -0.465
local terms energy: -100.468900
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -300.183411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.183411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.183411 (E_RNA)
where:
Base-Base interactions energy: -184.591
where: short stacking energy: -88.859
Base-Backbone interact. energy: -0.138
local terms energy: -115.455249
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -23.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -201.375289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.375289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.375289 (E_RNA)
where:
Base-Base interactions energy: -110.335
where: short stacking energy: -54.993
Base-Backbone interact. energy: -0.882
local terms energy: -90.158038
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -11.217
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: 1
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -190.686612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.686612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.686612 (E_RNA)
where:
Base-Base interactions energy: -99.226
where: short stacking energy: -66.858
Base-Backbone interact. energy: 0.825
local terms energy: -92.285805
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -21.406
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -132.304183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.304183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.304183 (E_RNA)
where:
Base-Base interactions energy: -46.214
where: short stacking energy: -30.726
Base-Backbone interact. energy: -0.322
local terms energy: -85.767850
where:
bonds (distance) C4'-P energy: -23.971
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: 0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -118.843527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.843527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.843527 (E_RNA)
where:
Base-Base interactions energy: -48.131
where: short stacking energy: -31.699
Base-Backbone interact. energy: -0.261
local terms energy: -70.451983
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: 1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -345.396311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.396311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.396311 (E_RNA)
where:
Base-Base interactions energy: -225.900
where: short stacking energy: -104.697
Base-Backbone interact. energy: 0.579
local terms energy: -120.075276
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -25.733
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -28.005
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -308.825486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.825486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.825486 (E_RNA)
where:
Base-Base interactions energy: -209.343
where: short stacking energy: -87.292
Base-Backbone interact. energy: -0.261
local terms energy: -99.221250
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -15.343
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: 10
Temperature: 1.000000
Total energy: -308.313802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.313802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.313802 (E_RNA)
where:
Base-Base interactions energy: -197.283
where: short stacking energy: -89.399
Base-Backbone interact. energy: -0.834
local terms energy: -110.196672
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -20.667
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: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -221.757934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.757934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.757934 (E_RNA)
where:
Base-Base interactions energy: -118.912
where: short stacking energy: -78.152
Base-Backbone interact. energy: -0.558
local terms energy: -102.288480
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -28.315
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -186.414392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.414392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.414392 (E_RNA)
where:
Base-Base interactions energy: -99.134
where: short stacking energy: -48.289
Base-Backbone interact. energy: 0.698
local terms energy: -87.978525
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -199.139631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.139631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.139631 (E_RNA)
where:
Base-Base interactions energy: -114.845
where: short stacking energy: -65.335
Base-Backbone interact. energy: -1.983
local terms energy: -82.311097
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -10.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 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: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -144.415959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.415959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.415959 (E_RNA)
where:
Base-Base interactions energy: -58.580
where: short stacking energy: -45.140
Base-Backbone interact. energy: -0.607
local terms energy: -85.228782
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -26.263
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -110.539556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.539556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.539556 (E_RNA)
where:
Base-Base interactions energy: -49.339
where: short stacking energy: -39.814
Base-Backbone interact. energy: -0.538
local terms energy: -60.661928
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: 2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -351.726297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.726297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.726297 (E_RNA)
where:
Base-Base interactions energy: -232.897
where: short stacking energy: -103.871
Base-Backbone interact. energy: 0.217
local terms energy: -119.046055
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -27.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -339.638192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.638192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.638192 (E_RNA)
where:
Base-Base interactions energy: -224.338
where: short stacking energy: -94.962
Base-Backbone interact. energy: -0.849
local terms energy: -114.451884
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -25.947
flat angles C4'-P-C4' energy: -26.793
flat angles P-C4'-P energy: -14.692
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: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -277.673525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.673525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.673525 (E_RNA)
where:
Base-Base interactions energy: -181.390
where: short stacking energy: -82.779
Base-Backbone interact. energy: -1.862
local terms energy: -94.421387
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -24.748
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -221.127716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.127716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.127716 (E_RNA)
where:
Base-Base interactions energy: -118.122
where: short stacking energy: -66.614
Base-Backbone interact. energy: -0.887
local terms energy: -102.118662
where:
bonds (distance) C4'-P energy: -25.262
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -18.481
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: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -191.487548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.487548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.487548 (E_RNA)
where:
Base-Base interactions energy: -99.038
where: short stacking energy: -63.255
Base-Backbone interact. energy: -0.137
local terms energy: -92.312777
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -225.401772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.401772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.401772 (E_RNA)
where:
Base-Base interactions energy: -119.650
where: short stacking energy: -82.581
Base-Backbone interact. energy: -0.272
local terms energy: -105.479538
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -24.951
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: 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: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -124.772647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.772647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.772647 (E_RNA)
where:
Base-Base interactions energy: -51.072
where: short stacking energy: -50.976
Base-Backbone interact. energy: 0.904
local terms energy: -74.605078
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -114.072024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.072024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.072024 (E_RNA)
where:
Base-Base interactions energy: -39.060
where: short stacking energy: -36.596
Base-Backbone interact. energy: -0.217
local terms energy: -74.794545
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -5.039
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: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -337.194722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.194722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.194722 (E_RNA)
where:
Base-Base interactions energy: -222.330
where: short stacking energy: -107.597
Base-Backbone interact. energy: -0.258
local terms energy: -114.606425
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -18.477
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: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -336.165663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.165663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.165663 (E_RNA)
where:
Base-Base interactions energy: -227.977
where: short stacking energy: -94.804
Base-Backbone interact. energy: -1.152
local terms energy: -107.036881
where:
bonds (distance) C4'-P energy: -25.622
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -25.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -286.418195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.418195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.418195 (E_RNA)
where:
Base-Base interactions energy: -190.581
where: short stacking energy: -71.459
Base-Backbone interact. energy: -0.682
local terms energy: -95.154857
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -273.641492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.641492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.641492 (E_RNA)
where:
Base-Base interactions energy: -155.618
where: short stacking energy: -80.260
Base-Backbone interact. energy: -0.197
local terms energy: -117.826934
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -25.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -228.973876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.973876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.973876 (E_RNA)
where:
Base-Base interactions energy: -119.668
where: short stacking energy: -78.833
Base-Backbone interact. energy: 0.072
local terms energy: -109.378066
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -26.379
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -162.744039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.744039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.744039 (E_RNA)
where:
Base-Base interactions energy: -69.157
where: short stacking energy: -50.766
Base-Backbone interact. energy: -0.687
local terms energy: -92.899393
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -4.683
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: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -132.715314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.715314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.715314 (E_RNA)
where:
Base-Base interactions energy: -46.840
where: short stacking energy: -39.985
Base-Backbone interact. energy: 1.168
local terms energy: -87.043584
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -27.664
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -140.604691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.604691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.604691 (E_RNA)
where:
Base-Base interactions energy: -50.336
where: short stacking energy: -44.561
Base-Backbone interact. energy: -0.223
local terms energy: -90.045216
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -133.705610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.705610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.705610 (E_RNA)
where:
Base-Base interactions energy: -46.222
where: short stacking energy: -39.401
Base-Backbone interact. energy: 0.728
local terms energy: -88.211403
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -334.873910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.873910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.873910 (E_RNA)
where:
Base-Base interactions energy: -212.528
where: short stacking energy: -105.819
Base-Backbone interact. energy: -0.076
local terms energy: -122.269146
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -21.027
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: 2, replica: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -351.538961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.538961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.538961 (E_RNA)
where:
Base-Base interactions energy: -217.948
where: short stacking energy: -96.353
Base-Backbone interact. energy: -3.148
local terms energy: -130.442916
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -21.949
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: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -291.450430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.450430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.450430 (E_RNA)
where:
Base-Base interactions energy: -182.637
where: short stacking energy: -86.316
Base-Backbone interact. energy: 1.351
local terms energy: -110.164805
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -271.984366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.984366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.984366 (E_RNA)
where:
Base-Base interactions energy: -159.472
where: short stacking energy: -80.276
Base-Backbone interact. energy: -0.110
local terms energy: -112.402424
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -232.873196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.873196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.873196 (E_RNA)
where:
Base-Base interactions energy: -137.201
where: short stacking energy: -61.097
Base-Backbone interact. energy: -0.231
local terms energy: -95.441268
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -136.051403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.051403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.051403 (E_RNA)
where:
Base-Base interactions energy: -64.667
where: short stacking energy: -46.642
Base-Backbone interact. energy: -1.373
local terms energy: -70.011109
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -135.324047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.324047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.324047 (E_RNA)
where:
Base-Base interactions energy: -53.463
where: short stacking energy: -49.618
Base-Backbone interact. energy: -0.316
local terms energy: -81.545055
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -26.081
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -119.211650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.211650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.211650 (E_RNA)
where:
Base-Base interactions energy: -40.845
where: short stacking energy: -33.826
Base-Backbone interact. energy: 0.046
local terms energy: -78.412848
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -127.689214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.689214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.689214 (E_RNA)
where:
Base-Base interactions energy: -49.353
where: short stacking energy: -34.749
Base-Backbone interact. energy: -0.847
local terms energy: -77.488833
where:
bonds (distance) C4'-P energy: -24.744
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -344.616807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.616807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.616807 (E_RNA)
where:
Base-Base interactions energy: -231.385
where: short stacking energy: -96.739
Base-Backbone interact. energy: -2.141
local terms energy: -111.090099
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -24.053
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: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -321.798989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.798989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.798989 (E_RNA)
where:
Base-Base interactions energy: -211.614
where: short stacking energy: -100.755
Base-Backbone interact. energy: -0.081
local terms energy: -110.103553
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -24.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -267.713713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.713713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.713713 (E_RNA)
where:
Base-Base interactions energy: -158.453
where: short stacking energy: -86.544
Base-Backbone interact. energy: -0.355
local terms energy: -108.905328
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -284.565487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.565487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.565487 (E_RNA)
where:
Base-Base interactions energy: -179.211
where: short stacking energy: -93.416
Base-Backbone interact. energy: -0.094
local terms energy: -105.260145
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -27.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -215.978232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.978232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.978232 (E_RNA)
where:
Base-Base interactions energy: -119.332
where: short stacking energy: -59.662
Base-Backbone interact. energy: -0.332
local terms energy: -96.314438
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -13.334
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: 14
Temperature: 1.150000
Total energy: -157.799349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.799349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.799349 (E_RNA)
where:
Base-Base interactions energy: -64.754
where: short stacking energy: -51.580
Base-Backbone interact. energy: 0.116
local terms energy: -93.161866
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -11.113
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: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -127.236968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.236968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.236968 (E_RNA)
where:
Base-Base interactions energy: -39.747
where: short stacking energy: -39.263
Base-Backbone interact. energy: -0.074
local terms energy: -87.415734
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -8.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -120.184650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.184650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.184650 (E_RNA)
where:
Base-Base interactions energy: -56.956
where: short stacking energy: -33.226
Base-Backbone interact. energy: -0.477
local terms energy: -62.751666
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -5.928
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: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -109.288315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.288315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.288315 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -27.488
Base-Backbone interact. energy: -0.358
local terms energy: -72.276816
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -25.099
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: 6.939
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -118.811389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.811389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.811389 (E_RNA)
where:
Base-Base interactions energy: -44.451
where: short stacking energy: -44.124
Base-Backbone interact. energy: -0.430
local terms energy: -73.931047
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -357.239135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.239135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.239135 (E_RNA)
where:
Base-Base interactions energy: -239.325
where: short stacking energy: -115.590
Base-Backbone interact. energy: -0.972
local terms energy: -116.941876
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -26.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -319.642319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.642319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.642319 (E_RNA)
where:
Base-Base interactions energy: -210.622
where: short stacking energy: -103.655
Base-Backbone interact. energy: -0.272
local terms energy: -108.748189
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -26.888
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -26.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -277.763870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.763870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.763870 (E_RNA)
where:
Base-Base interactions energy: -173.230
where: short stacking energy: -87.067
Base-Backbone interact. energy: -0.263
local terms energy: -104.271433
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -24.269
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -297.354263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.354263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.354263 (E_RNA)
where:
Base-Base interactions energy: -182.080
where: short stacking energy: -97.748
Base-Backbone interact. energy: -0.392
local terms energy: -114.883091
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -28.486
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: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -224.014568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.014568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.014568 (E_RNA)
where:
Base-Base interactions energy: -121.664
where: short stacking energy: -67.329
Base-Backbone interact. energy: -1.626
local terms energy: -100.724421
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -15.676
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: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -161.597886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.597886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.597886 (E_RNA)
where:
Base-Base interactions energy: -72.085
where: short stacking energy: -45.084
Base-Backbone interact. energy: -0.182
local terms energy: -89.330830
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -23.019
flat angles C4'-P-C4' energy: -23.642
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -127.098708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.098708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.098708 (E_RNA)
where:
Base-Base interactions energy: -53.087
where: short stacking energy: -39.777
Base-Backbone interact. energy: -0.226
local terms energy: -73.785061
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -9.698
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: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -130.845519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.845519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.845519 (E_RNA)
where:
Base-Base interactions energy: -53.124
where: short stacking energy: -36.747
Base-Backbone interact. energy: 0.567
local terms energy: -78.289217
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: 0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -130.233723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.233723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.233723 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -32.509
Base-Backbone interact. energy: -0.108
local terms energy: -85.244183
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -113.790763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.790763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.790763 (E_RNA)
where:
Base-Base interactions energy: -42.137
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.419
local terms energy: -71.235563
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -336.728321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.728321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.728321 (E_RNA)
where:
Base-Base interactions energy: -217.379
where: short stacking energy: -98.011
Base-Backbone interact. energy: 0.153
local terms energy: -119.502097
where:
bonds (distance) C4'-P energy: -26.010
bonds (distance) P-C4' energy: -26.227
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -16.779
tors. eta vs tors. theta energy: -25.008
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: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -320.473542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.473542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.473542 (E_RNA)
where:
Base-Base interactions energy: -205.406
where: short stacking energy: -96.581
Base-Backbone interact. energy: -0.186
local terms energy: -114.881209
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -27.680
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: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -265.063216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.063216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.063216 (E_RNA)
where:
Base-Base interactions energy: -162.652
where: short stacking energy: -80.048
Base-Backbone interact. energy: -1.149
local terms energy: -101.262057
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -249.725876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.725876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.725876 (E_RNA)
where:
Base-Base interactions energy: -155.305
where: short stacking energy: -81.145
Base-Backbone interact. energy: -1.355
local terms energy: -93.065976
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -15.014
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: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -239.601808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.601808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.601808 (E_RNA)
where:
Base-Base interactions energy: -130.201
where: short stacking energy: -72.366
Base-Backbone interact. energy: -0.456
local terms energy: -108.945128
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -15.345
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: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -148.088318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.088318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.088318 (E_RNA)
where:
Base-Base interactions energy: -76.447
where: short stacking energy: -57.651
Base-Backbone interact. energy: -0.236
local terms energy: -71.405058
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -143.365878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.365878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.365878 (E_RNA)
where:
Base-Base interactions energy: -61.137
where: short stacking energy: -44.392
Base-Backbone interact. energy: -0.742
local terms energy: -81.486523
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -139.285653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.285653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.285653 (E_RNA)
where:
Base-Base interactions energy: -51.768
where: short stacking energy: -45.815
Base-Backbone interact. energy: 0.151
local terms energy: -87.669398
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -126.442972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.442972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.442972 (E_RNA)
where:
Base-Base interactions energy: -53.219
where: short stacking energy: -38.611
Base-Backbone interact. energy: -0.126
local terms energy: -73.098431
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -123.428533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.428533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.428533 (E_RNA)
where:
Base-Base interactions energy: -64.793
where: short stacking energy: -50.382
Base-Backbone interact. energy: -0.799
local terms energy: -57.836393
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -1.457
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: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -341.789087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.789087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.789087 (E_RNA)
where:
Base-Base interactions energy: -231.650
where: short stacking energy: -102.227
Base-Backbone interact. energy: -0.881
local terms energy: -109.258049
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -27.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -323.925452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.925452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.925452 (E_RNA)
where:
Base-Base interactions energy: -209.357
where: short stacking energy: -101.738
Base-Backbone interact. energy: -0.997
local terms energy: -113.571087
where:
bonds (distance) C4'-P energy: -27.344
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -24.547
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: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -250.620072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.620072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.620072 (E_RNA)
where:
Base-Base interactions energy: -149.764
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.525
local terms energy: -100.330975
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -10.511
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: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -250.824607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.824607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.824607 (E_RNA)
where:
Base-Base interactions energy: -148.780
where: short stacking energy: -85.830
Base-Backbone interact. energy: -1.088
local terms energy: -100.956777
where:
bonds (distance) C4'-P energy: -22.426
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -26.949
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -21.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -275.506541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.506541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.506541 (E_RNA)
where:
Base-Base interactions energy: -162.560
where: short stacking energy: -83.921
Base-Backbone interact. energy: -0.564
local terms energy: -112.382802
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -24.313
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: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -146.465241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.465241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.465241 (E_RNA)
where:
Base-Base interactions energy: -64.561
where: short stacking energy: -54.524
Base-Backbone interact. energy: -0.886
local terms energy: -81.018542
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -131.435659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.435659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.435659 (E_RNA)
where:
Base-Base interactions energy: -62.680
where: short stacking energy: -41.299
Base-Backbone interact. energy: 2.191
local terms energy: -70.946615
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -124.775163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.775163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.775163 (E_RNA)
where:
Base-Base interactions energy: -46.282
where: short stacking energy: -44.702
Base-Backbone interact. energy: -0.215
local terms energy: -78.277845
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -6.609
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: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -108.436756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.436756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.436756 (E_RNA)
where:
Base-Base interactions energy: -55.434
where: short stacking energy: -37.202
Base-Backbone interact. energy: 1.008
local terms energy: -54.010877
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: 5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -113.935464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.935464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.935464 (E_RNA)
where:
Base-Base interactions energy: -28.666
where: short stacking energy: -25.490
Base-Backbone interact. energy: -1.534
local terms energy: -83.735190
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -23.806
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -340.533052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.533052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.533052 (E_RNA)
where:
Base-Base interactions energy: -213.679
where: short stacking energy: -105.727
Base-Backbone interact. energy: -0.350
local terms energy: -126.503391
where:
bonds (distance) C4'-P energy: -29.309
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -28.098
flat angles P-C4'-P energy: -16.089
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: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -332.942517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.942517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.942517 (E_RNA)
where:
Base-Base interactions energy: -225.288
where: short stacking energy: -103.264
Base-Backbone interact. energy: -0.148
local terms energy: -107.506556
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -26.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -257.182192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.182192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.182192 (E_RNA)
where:
Base-Base interactions energy: -159.163
where: short stacking energy: -83.997
Base-Backbone interact. energy: -0.133
local terms energy: -97.886684
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -17.532
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: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -234.149527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.149527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.149527 (E_RNA)
where:
Base-Base interactions energy: -145.823
where: short stacking energy: -59.721
Base-Backbone interact. energy: -0.429
local terms energy: -87.897558
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -26.559
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -7.253
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: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -268.231067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.231067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.231067 (E_RNA)
where:
Base-Base interactions energy: -151.382
where: short stacking energy: -82.824
Base-Backbone interact. energy: -0.123
local terms energy: -116.726782
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -31.198
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: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -145.703130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.703130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.703130 (E_RNA)
where:
Base-Base interactions energy: -59.946
where: short stacking energy: -59.946
Base-Backbone interact. energy: -0.676
local terms energy: -85.081049
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -25.862
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -144.039245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.039245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.039245 (E_RNA)
where:
Base-Base interactions energy: -65.357
where: short stacking energy: -49.362
Base-Backbone interact. energy: -0.322
local terms energy: -78.360408
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -8.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -134.630768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.630768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.630768 (E_RNA)
where:
Base-Base interactions energy: -50.462
where: short stacking energy: -43.876
Base-Backbone interact. energy: -0.162
local terms energy: -84.006907
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -8.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -151.930730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.930730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.930730 (E_RNA)
where:
Base-Base interactions energy: -64.030
where: short stacking energy: -49.981
Base-Backbone interact. energy: -1.753
local terms energy: -86.147267
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -25.624
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -116.597718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.597718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.597718 (E_RNA)
where:
Base-Base interactions energy: -47.556
where: short stacking energy: -36.955
Base-Backbone interact. energy: -2.275
local terms energy: -66.766284
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: 4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -340.637529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.637529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.637529 (E_RNA)
where:
Base-Base interactions energy: -226.577
where: short stacking energy: -102.866
Base-Backbone interact. energy: -0.189
local terms energy: -113.871295
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -21.834
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: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -343.191385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.191385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.191385 (E_RNA)
where:
Base-Base interactions energy: -209.448
where: short stacking energy: -96.239
Base-Backbone interact. energy: -1.368
local terms energy: -132.375338
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -26.567
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -25.333
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: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -252.238238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.238238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.238238 (E_RNA)
where:
Base-Base interactions energy: -149.623
where: short stacking energy: -89.401
Base-Backbone interact. energy: -0.257
local terms energy: -102.358046
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -26.321
flat angles P-C4'-P energy: -15.613
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: 19
Temperature: 1.050000
Total energy: -252.873360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.873360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.873360 (E_RNA)
where:
Base-Base interactions energy: -154.150
where: short stacking energy: -80.990
Base-Backbone interact. energy: -1.139
local terms energy: -97.584390
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -27.950
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -245.879461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.879461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.879461 (E_RNA)
where:
Base-Base interactions energy: -140.684
where: short stacking energy: -69.423
Base-Backbone interact. energy: 0.402
local terms energy: -105.597348
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -140.180478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.180478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.180478 (E_RNA)
where:
Base-Base interactions energy: -64.772
where: short stacking energy: -63.954
Base-Backbone interact. energy: 3.047
local terms energy: -78.455199
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -131.837176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.837176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.837176 (E_RNA)
where:
Base-Base interactions energy: -52.730
where: short stacking energy: -35.867
Base-Backbone interact. energy: -0.578
local terms energy: -78.529786
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -122.126804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.126804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.126804 (E_RNA)
where:
Base-Base interactions energy: -44.618
where: short stacking energy: -39.266
Base-Backbone interact. energy: -0.202
local terms energy: -77.306256
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -124.699792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.699792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.699792 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -33.854
Base-Backbone interact. energy: -0.346
local terms energy: -89.879426
where:
bonds (distance) C4'-P energy: -26.074
bonds (distance) P-C4' energy: -29.220
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -11.942
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: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -105.421997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.421997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.421997 (E_RNA)
where:
Base-Base interactions energy: -39.697
where: short stacking energy: -28.022
Base-Backbone interact. energy: -0.347
local terms energy: -65.378386
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: 5.654
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: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -336.734550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.734550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.734550 (E_RNA)
where:
Base-Base interactions energy: -218.482
where: short stacking energy: -110.053
Base-Backbone interact. energy: -0.613
local terms energy: -117.639255
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -27.571
flat angles C4'-P-C4' energy: -24.474
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -33.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -319.489820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.489820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.489820 (E_RNA)
where:
Base-Base interactions energy: -202.908
where: short stacking energy: -79.899
Base-Backbone interact. energy: -0.811
local terms energy: -115.770305
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -18.931
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: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -284.987979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.987979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.987979 (E_RNA)
where:
Base-Base interactions energy: -172.060
where: short stacking energy: -80.917
Base-Backbone interact. energy: -0.343
local terms energy: -112.584508
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -25.566
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: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -283.297113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.297113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.297113 (E_RNA)
where:
Base-Base interactions energy: -162.190
where: short stacking energy: -82.489
Base-Backbone interact. energy: -0.221
local terms energy: -120.886871
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -19.513
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: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -249.216838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.216838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.216838 (E_RNA)
where:
Base-Base interactions energy: -153.345
where: short stacking energy: -73.168
Base-Backbone interact. energy: 0.236
local terms energy: -96.107549
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -15.071
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: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -168.461787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.461787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.461787 (E_RNA)
where:
Base-Base interactions energy: -75.908
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.120
local terms energy: -92.433780
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -14.794
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: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -135.946875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.946875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.946875 (E_RNA)
where:
Base-Base interactions energy: -46.740
where: short stacking energy: -40.294
Base-Backbone interact. energy: -0.290
local terms energy: -88.916512
where:
bonds (distance) C4'-P energy: -28.818
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -131.597657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.597657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.597657 (E_RNA)
where:
Base-Base interactions energy: -59.211
where: short stacking energy: -35.813
Base-Backbone interact. energy: 0.852
local terms energy: -73.239032
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: 5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -121.153479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.153479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.153479 (E_RNA)
where:
Base-Base interactions energy: -39.875
where: short stacking energy: -35.155
Base-Backbone interact. energy: -0.207
local terms energy: -81.071988
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -121.234453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.234453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.234453 (E_RNA)
where:
Base-Base interactions energy: -56.357
where: short stacking energy: -28.784
Base-Backbone interact. energy: -0.595
local terms energy: -64.282528
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: 8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -331.873395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.873395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.873395 (E_RNA)
where:
Base-Base interactions energy: -217.249
where: short stacking energy: -101.476
Base-Backbone interact. energy: -0.624
local terms energy: -114.000109
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -29.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -292.089957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.089957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.089957 (E_RNA)
where:
Base-Base interactions energy: -170.124
where: short stacking energy: -92.011
Base-Backbone interact. energy: -0.000
local terms energy: -121.966247
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -308.551934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.551934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.551934 (E_RNA)
where:
Base-Base interactions energy: -199.947
where: short stacking energy: -101.251
Base-Backbone interact. energy: 0.633
local terms energy: -109.237737
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -26.124
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: 21
Temperature: 1.050000
Total energy: -253.020718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.020718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.020718 (E_RNA)
where:
Base-Base interactions energy: -151.851
where: short stacking energy: -84.226
Base-Backbone interact. energy: 0.984
local terms energy: -102.153461
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -16.338
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: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -208.369513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.369513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.369513 (E_RNA)
where:
Base-Base interactions energy: -131.801
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.404
local terms energy: -76.164619
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -137.793063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.793063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.793063 (E_RNA)
where:
Base-Base interactions energy: -59.310
where: short stacking energy: -40.432
Base-Backbone interact. energy: -0.233
local terms energy: -78.249968
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -145.580463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.580463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.580463 (E_RNA)
where:
Base-Base interactions energy: -60.930
where: short stacking energy: -41.526
Base-Backbone interact. energy: -0.023
local terms energy: -84.626857
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -3.138
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: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -138.668914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.668914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.668914 (E_RNA)
where:
Base-Base interactions energy: -61.281
where: short stacking energy: -26.089
Base-Backbone interact. energy: 1.019
local terms energy: -78.407031
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -123.037857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.037857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.037857 (E_RNA)
where:
Base-Base interactions energy: -51.829
where: short stacking energy: -31.676
Base-Backbone interact. energy: 0.893
local terms energy: -72.101628
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: 0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -114.458883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.458883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.458883 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -32.947
Base-Backbone interact. energy: -1.011
local terms energy: -76.914980
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -18.182
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: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -330.657379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.657379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.657379 (E_RNA)
where:
Base-Base interactions energy: -218.111
where: short stacking energy: -109.545
Base-Backbone interact. energy: -0.414
local terms energy: -112.133001
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -27.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -306.342793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.342793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.342793 (E_RNA)
where:
Base-Base interactions energy: -183.722
where: short stacking energy: -84.868
Base-Backbone interact. energy: -0.496
local terms energy: -122.124838
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -18.331
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: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -306.802443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.802443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.802443 (E_RNA)
where:
Base-Base interactions energy: -190.843
where: short stacking energy: -96.992
Base-Backbone interact. energy: -1.553
local terms energy: -114.406213
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -26.410
flat angles C4'-P-C4' energy: -23.207
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -26.845
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: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -268.803452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.803452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.803452 (E_RNA)
where:
Base-Base interactions energy: -168.051
where: short stacking energy: -89.863
Base-Backbone interact. energy: -0.652
local terms energy: -100.100469
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -203.110555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.110555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.110555 (E_RNA)
where:
Base-Base interactions energy: -106.531
where: short stacking energy: -65.876
Base-Backbone interact. energy: -0.462
local terms energy: -96.117407
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -27.706
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -134.270538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.270538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.270538 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -39.391
Base-Backbone interact. energy: -0.279
local terms energy: -91.489277
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -29.487
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -135.915991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.915991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.915991 (E_RNA)
where:
Base-Base interactions energy: -42.456
where: short stacking energy: -42.456
Base-Backbone interact. energy: -0.489
local terms energy: -92.970953
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -8.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -139.632772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.632772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.632772 (E_RNA)
where:
Base-Base interactions energy: -54.426
where: short stacking energy: -50.507
Base-Backbone interact. energy: -0.285
local terms energy: -84.921763
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -27.696
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -133.930041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.930041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.930041 (E_RNA)
where:
Base-Base interactions energy: -49.606
where: short stacking energy: -40.548
Base-Backbone interact. energy: -0.289
local terms energy: -84.035025
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -105.256928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.256928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.256928 (E_RNA)
where:
Base-Base interactions energy: -32.144
where: short stacking energy: -28.194
Base-Backbone interact. energy: -0.267
local terms energy: -72.846850
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: 3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -321.590047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.590047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.590047 (E_RNA)
where:
Base-Base interactions energy: -203.149
where: short stacking energy: -90.912
Base-Backbone interact. energy: -1.313
local terms energy: -117.127892
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -25.708
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -326.394929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.394929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.394929 (E_RNA)
where:
Base-Base interactions energy: -208.995
where: short stacking energy: -98.662
Base-Backbone interact. energy: 1.373
local terms energy: -118.772709
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -15.320
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: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -308.866812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.866812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.866812 (E_RNA)
where:
Base-Base interactions energy: -184.533
where: short stacking energy: -107.420
Base-Backbone interact. energy: -1.633
local terms energy: -122.700798
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -33.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -269.623389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.623389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.623389 (E_RNA)
where:
Base-Base interactions energy: -169.834
where: short stacking energy: -79.437
Base-Backbone interact. energy: -0.108
local terms energy: -99.681564
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -195.923961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.923961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.923961 (E_RNA)
where:
Base-Base interactions energy: -101.440
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.451
local terms energy: -94.032672
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -24.941
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -11.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -158.331267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.331267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.331267 (E_RNA)
where:
Base-Base interactions energy: -68.819
where: short stacking energy: -52.644
Base-Backbone interact. energy: -1.573
local terms energy: -87.939685
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -2.713
tors. eta vs tors. theta energy: -9.941
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: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -130.636388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.636388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.636388 (E_RNA)
where:
Base-Base interactions energy: -50.465
where: short stacking energy: -42.265
Base-Backbone interact. energy: -0.201
local terms energy: -79.970445
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -152.428426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.428426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.428426 (E_RNA)
where:
Base-Base interactions energy: -73.969
where: short stacking energy: -41.303
Base-Backbone interact. energy: -0.611
local terms energy: -77.848477
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: 0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -124.596883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.596883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.596883 (E_RNA)
where:
Base-Base interactions energy: -38.283
where: short stacking energy: -35.565
Base-Backbone interact. energy: -0.096
local terms energy: -86.217542
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -17.797
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: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -116.008933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.008933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.008933 (E_RNA)
where:
Base-Base interactions energy: -27.416
where: short stacking energy: -27.120
Base-Backbone interact. energy: 0.361
local terms energy: -88.954021
where:
bonds (distance) C4'-P energy: -24.919
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -338.471798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.471798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.471798 (E_RNA)
where:
Base-Base interactions energy: -216.349
where: short stacking energy: -100.454
Base-Backbone interact. energy: -1.497
local terms energy: -120.625086
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -29.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -328.202976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.202976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.202976 (E_RNA)
where:
Base-Base interactions energy: -211.282
where: short stacking energy: -93.208
Base-Backbone interact. energy: 0.795
local terms energy: -117.716503
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -29.111
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -305.146691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.146691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.146691 (E_RNA)
where:
Base-Base interactions energy: -187.642
where: short stacking energy: -89.492
Base-Backbone interact. energy: -0.157
local terms energy: -117.347546
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -289.103107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.103107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.103107 (E_RNA)
where:
Base-Base interactions energy: -179.986
where: short stacking energy: -79.873
Base-Backbone interact. energy: 0.590
local terms energy: -109.707890
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -185.940375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.940375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.940375 (E_RNA)
where:
Base-Base interactions energy: -90.958
where: short stacking energy: -56.533
Base-Backbone interact. energy: 0.267
local terms energy: -95.249432
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -153.078670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.078670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.078670 (E_RNA)
where:
Base-Base interactions energy: -60.876
where: short stacking energy: -62.383
Base-Backbone interact. energy: -0.166
local terms energy: -92.036650
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -6.571
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: 24
Temperature: 1.200000
Total energy: -155.750404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.750404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.750404 (E_RNA)
where:
Base-Base interactions energy: -74.616
where: short stacking energy: -56.331
Base-Backbone interact. energy: -0.164
local terms energy: -80.970283
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -28.501
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -125.251764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.251764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.251764 (E_RNA)
where:
Base-Base interactions energy: -42.540
where: short stacking energy: -38.747
Base-Backbone interact. energy: -0.310
local terms energy: -82.402367
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -8.154
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: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -125.440741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.440741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.440741 (E_RNA)
where:
Base-Base interactions energy: -48.932
where: short stacking energy: -39.084
Base-Backbone interact. energy: -2.294
local terms energy: -74.214506
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -119.270384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.270384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.270384 (E_RNA)
where:
Base-Base interactions energy: -42.543
where: short stacking energy: -42.943
Base-Backbone interact. energy: 0.063
local terms energy: -76.790038
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -351.595418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.595418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.595418 (E_RNA)
where:
Base-Base interactions energy: -225.593
where: short stacking energy: -110.065
Base-Backbone interact. energy: -0.711
local terms energy: -125.291201
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -34.420
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: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -329.488596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.488596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.488596 (E_RNA)
where:
Base-Base interactions energy: -210.978
where: short stacking energy: -94.605
Base-Backbone interact. energy: 0.224
local terms energy: -118.734535
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -24.743
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: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -299.521392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.521392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.521392 (E_RNA)
where:
Base-Base interactions energy: -184.860
where: short stacking energy: -95.900
Base-Backbone interact. energy: -1.457
local terms energy: -113.204248
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -25.542
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -28.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -296.501557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.501557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.501557 (E_RNA)
where:
Base-Base interactions energy: -188.247
where: short stacking energy: -95.592
Base-Backbone interact. energy: -0.067
local terms energy: -108.188271
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -28.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -190.445976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.445976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.445976 (E_RNA)
where:
Base-Base interactions energy: -98.893
where: short stacking energy: -42.066
Base-Backbone interact. energy: 0.259
local terms energy: -91.812023
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -158.430803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.430803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.430803 (E_RNA)
where:
Base-Base interactions energy: -69.862
where: short stacking energy: -39.107
Base-Backbone interact. energy: -1.137
local terms energy: -87.432437
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -141.942377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.942377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.942377 (E_RNA)
where:
Base-Base interactions energy: -58.877
where: short stacking energy: -36.506
Base-Backbone interact. energy: -0.128
local terms energy: -82.936785
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -147.420092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.420092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.420092 (E_RNA)
where:
Base-Base interactions energy: -62.328
where: short stacking energy: -51.478
Base-Backbone interact. energy: -0.539
local terms energy: -84.553611
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -5.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -191.135004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.135004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.135004 (E_RNA)
where:
Base-Base interactions energy: -112.243
where: short stacking energy: -54.883
Base-Backbone interact. energy: -0.334
local terms energy: -78.557790
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -116.390247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.390247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.390247 (E_RNA)
where:
Base-Base interactions energy: -50.861
where: short stacking energy: -31.277
Base-Backbone interact. energy: -0.367
local terms energy: -65.162804
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: 5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -335.970887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.970887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.970887 (E_RNA)
where:
Base-Base interactions energy: -206.135
where: short stacking energy: -110.175
Base-Backbone interact. energy: -0.164
local terms energy: -129.671441
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -28.351
flat angles P-C4'-P energy: -19.852
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: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -317.777453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.777453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.777453 (E_RNA)
where:
Base-Base interactions energy: -206.995
where: short stacking energy: -85.017
Base-Backbone interact. energy: -0.140
local terms energy: -110.642766
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -286.737404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.737404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.737404 (E_RNA)
where:
Base-Base interactions energy: -178.990
where: short stacking energy: -91.324
Base-Backbone interact. energy: -0.252
local terms energy: -107.495290
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -24.965
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -29.456
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: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -272.298445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.298445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.298445 (E_RNA)
where:
Base-Base interactions energy: -176.019
where: short stacking energy: -80.393
Base-Backbone interact. energy: -0.652
local terms energy: -95.627340
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -196.303265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.303265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.303265 (E_RNA)
where:
Base-Base interactions energy: -95.596
where: short stacking energy: -59.046
Base-Backbone interact. energy: 1.853
local terms energy: -102.559788
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -26.720
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -9.977
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: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -146.082215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.082215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.082215 (E_RNA)
where:
Base-Base interactions energy: -56.180
where: short stacking energy: -45.587
Base-Backbone interact. energy: -0.330
local terms energy: -89.571863
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -17.358
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: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -143.193681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.193681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.193681 (E_RNA)
where:
Base-Base interactions energy: -55.896
where: short stacking energy: -40.173
Base-Backbone interact. energy: 0.730
local terms energy: -88.027653
where:
bonds (distance) C4'-P energy: -24.727
bonds (distance) P-C4' energy: -26.354
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -15.963
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: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -129.938082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.938082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.938082 (E_RNA)
where:
Base-Base interactions energy: -45.236
where: short stacking energy: -45.236
Base-Backbone interact. energy: -0.175
local terms energy: -84.527139
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -14.420
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: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -175.354173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.354173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.354173 (E_RNA)
where:
Base-Base interactions energy: -102.973
where: short stacking energy: -46.904
Base-Backbone interact. energy: -1.104
local terms energy: -71.277514
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -114.304804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.304804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.304804 (E_RNA)
where:
Base-Base interactions energy: -36.528
where: short stacking energy: -22.139
Base-Backbone interact. energy: -1.085
local terms energy: -76.690904
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -344.906275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.906275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.906275 (E_RNA)
where:
Base-Base interactions energy: -220.620
where: short stacking energy: -108.730
Base-Backbone interact. energy: -0.123
local terms energy: -124.162875
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -26.886
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -32.773
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: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -320.424814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.424814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.424814 (E_RNA)
where:
Base-Base interactions energy: -212.657
where: short stacking energy: -100.262
Base-Backbone interact. energy: -0.421
local terms energy: -107.345957
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -20.606
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -274.594897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.594897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.594897 (E_RNA)
where:
Base-Base interactions energy: -168.665
where: short stacking energy: -88.945
Base-Backbone interact. energy: -0.722
local terms energy: -105.207358
where:
bonds (distance) C4'-P energy: -25.932
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -22.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -284.613958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.613958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.613958 (E_RNA)
where:
Base-Base interactions energy: -171.144
where: short stacking energy: -74.758
Base-Backbone interact. energy: 0.421
local terms energy: -113.891791
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -23.471
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: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -200.168036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.168036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.168036 (E_RNA)
where:
Base-Base interactions energy: -97.490
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.070
local terms energy: -102.608634
where:
bonds (distance) C4'-P energy: -24.395
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -18.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -138.596724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.596724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.596724 (E_RNA)
where:
Base-Base interactions energy: -50.465
where: short stacking energy: -50.465
Base-Backbone interact. energy: 0.390
local terms energy: -88.521852
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -150.117404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.117404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.117404 (E_RNA)
where:
Base-Base interactions energy: -68.180
where: short stacking energy: -54.398
Base-Backbone interact. energy: -0.105
local terms energy: -81.832139
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -126.971329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.971329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.971329 (E_RNA)
where:
Base-Base interactions energy: -59.438
where: short stacking energy: -46.528
Base-Backbone interact. energy: -0.675
local terms energy: -66.857615
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -147.997620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.997620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.997620 (E_RNA)
where:
Base-Base interactions energy: -74.982
where: short stacking energy: -48.211
Base-Backbone interact. energy: -0.401
local terms energy: -72.615404
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: 0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -117.103479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.103479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.103479 (E_RNA)
where:
Base-Base interactions energy: -57.878
where: short stacking energy: -32.111
Base-Backbone interact. energy: 0.261
local terms energy: -59.485607
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -328.480979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.480979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.480979 (E_RNA)
where:
Base-Base interactions energy: -211.067
where: short stacking energy: -110.033
Base-Backbone interact. energy: 0.419
local terms energy: -117.833612
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -18.769
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: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -341.355228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.355228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.355228 (E_RNA)
where:
Base-Base interactions energy: -209.691
where: short stacking energy: -105.122
Base-Backbone interact. energy: -0.603
local terms energy: -131.061056
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -35.680
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: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -308.292151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.292151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.292151 (E_RNA)
where:
Base-Base interactions energy: -192.049
where: short stacking energy: -90.557
Base-Backbone interact. energy: -0.567
local terms energy: -115.676973
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -263.825680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.825680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.825680 (E_RNA)
where:
Base-Base interactions energy: -160.207
where: short stacking energy: -76.705
Base-Backbone interact. energy: 1.680
local terms energy: -105.298361
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -207.821617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.821617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.821617 (E_RNA)
where:
Base-Base interactions energy: -104.980
where: short stacking energy: -62.177
Base-Backbone interact. energy: 1.117
local terms energy: -103.958599
where:
bonds (distance) C4'-P energy: -24.519
bonds (distance) P-C4' energy: -26.378
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -14.505
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: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -171.708307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.708307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.708307 (E_RNA)
where:
Base-Base interactions energy: -79.235
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.455
local terms energy: -92.018218
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -145.411625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.411625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.411625 (E_RNA)
where:
Base-Base interactions energy: -53.701
where: short stacking energy: -48.050
Base-Backbone interact. energy: -0.828
local terms energy: -90.883024
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -9.975
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: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -127.034155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.034155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.034155 (E_RNA)
where:
Base-Base interactions energy: -44.679
where: short stacking energy: -39.551
Base-Backbone interact. energy: -1.333
local terms energy: -81.022033
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -149.029403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.029403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.029403 (E_RNA)
where:
Base-Base interactions energy: -62.576
where: short stacking energy: -37.385
Base-Backbone interact. energy: -0.193
local terms energy: -86.260665
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -27.544
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -119.763166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.763166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.763166 (E_RNA)
where:
Base-Base interactions energy: -43.099
where: short stacking energy: -38.756
Base-Backbone interact. energy: -0.602
local terms energy: -76.061545
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -12.835
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: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -329.314107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.314107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.314107 (E_RNA)
where:
Base-Base interactions energy: -204.480
where: short stacking energy: -106.014
Base-Backbone interact. energy: -0.159
local terms energy: -124.674959
where:
bonds (distance) C4'-P energy: -25.559
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -20.632
tors. eta vs tors. theta energy: -31.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -323.200985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.200985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.200985 (E_RNA)
where:
Base-Base interactions energy: -199.629
where: short stacking energy: -95.021
Base-Backbone interact. energy: -0.100
local terms energy: -123.472012
where:
bonds (distance) C4'-P energy: -27.786
bonds (distance) P-C4' energy: -26.436
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -26.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -301.378276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.378276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.378276 (E_RNA)
where:
Base-Base interactions energy: -202.708
where: short stacking energy: -88.454
Base-Backbone interact. energy: 0.152
local terms energy: -98.822380
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -23.527
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: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -259.213639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.213639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.213639 (E_RNA)
where:
Base-Base interactions energy: -156.795
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.453
local terms energy: -101.965970
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -15.245
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: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -201.046746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.046746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.046746 (E_RNA)
where:
Base-Base interactions energy: -105.040
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.012
local terms energy: -95.994584
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -11.254
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: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -167.234664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.234664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.234664 (E_RNA)
where:
Base-Base interactions energy: -83.499
where: short stacking energy: -62.553
Base-Backbone interact. energy: -0.193
local terms energy: -83.542976
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -146.355216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.355216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.355216 (E_RNA)
where:
Base-Base interactions energy: -55.768
where: short stacking energy: -47.718
Base-Backbone interact. energy: -0.070
local terms energy: -90.517626
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -12.149
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: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -133.040540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.040540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.040540 (E_RNA)
where:
Base-Base interactions energy: -55.153
where: short stacking energy: -35.978
Base-Backbone interact. energy: -0.596
local terms energy: -77.291448
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -140.508000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.508000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.508000 (E_RNA)
where:
Base-Base interactions energy: -51.921
where: short stacking energy: -35.515
Base-Backbone interact. energy: -0.263
local terms energy: -88.323828
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -11.431
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: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -117.765634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.765634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.765634 (E_RNA)
where:
Base-Base interactions energy: -40.062
where: short stacking energy: -26.897
Base-Backbone interact. energy: 0.459
local terms energy: -78.162955
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: 2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -328.588465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.588465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.588465 (E_RNA)
where:
Base-Base interactions energy: -209.995
where: short stacking energy: -101.337
Base-Backbone interact. energy: -0.088
local terms energy: -118.505520
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -320.417006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.417006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.417006 (E_RNA)
where:
Base-Base interactions energy: -207.030
where: short stacking energy: -91.024
Base-Backbone interact. energy: -0.615
local terms energy: -112.771667
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -8.349
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: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -313.097657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.097657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.097657 (E_RNA)
where:
Base-Base interactions energy: -198.442
where: short stacking energy: -92.686
Base-Backbone interact. energy: -0.362
local terms energy: -114.293566
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -24.672
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: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -251.261496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.261496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.261496 (E_RNA)
where:
Base-Base interactions energy: -142.117
where: short stacking energy: -73.518
Base-Backbone interact. energy: -0.825
local terms energy: -108.319674
where:
bonds (distance) C4'-P energy: -26.262
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -25.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -188.943086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.943086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.943086 (E_RNA)
where:
Base-Base interactions energy: -96.991
where: short stacking energy: -50.511
Base-Backbone interact. energy: -0.664
local terms energy: -91.288379
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -5.013
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: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -168.983482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.983482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.983482 (E_RNA)
where:
Base-Base interactions energy: -79.785
where: short stacking energy: -33.417
Base-Backbone interact. energy: -1.013
local terms energy: -88.186038
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -6.373
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: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -154.462881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.462881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.462881 (E_RNA)
where:
Base-Base interactions energy: -77.432
where: short stacking energy: -39.126
Base-Backbone interact. energy: -1.548
local terms energy: -75.483322
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -137.188407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.188407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.188407 (E_RNA)
where:
Base-Base interactions energy: -56.136
where: short stacking energy: -55.130
Base-Backbone interact. energy: -0.262
local terms energy: -80.790493
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -110.792006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.792006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.792006 (E_RNA)
where:
Base-Base interactions energy: -41.153
where: short stacking energy: -28.118
Base-Backbone interact. energy: 0.467
local terms energy: -70.106104
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -10.479
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: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -137.578807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.578807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.578807 (E_RNA)
where:
Base-Base interactions energy: -74.514
where: short stacking energy: -39.497
Base-Backbone interact. energy: -0.209
local terms energy: -62.855417
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -24.239
flat angles C4'-P-C4' energy: -5.612
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -334.395696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.395696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.395696 (E_RNA)
where:
Base-Base interactions energy: -204.584
where: short stacking energy: -103.615
Base-Backbone interact. energy: -0.106
local terms energy: -129.705038
where:
bonds (distance) C4'-P energy: -27.919
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: -30.216
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: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -312.754007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.754007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.754007 (E_RNA)
where:
Base-Base interactions energy: -197.017
where: short stacking energy: -94.207
Base-Backbone interact. energy: 2.092
local terms energy: -117.829301
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -17.066
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: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -302.498323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.498323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.498323 (E_RNA)
where:
Base-Base interactions energy: -202.180
where: short stacking energy: -93.731
Base-Backbone interact. energy: -1.657
local terms energy: -98.661385
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -26.255
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -23.565
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: 31
Temperature: 1.050000
Total energy: -245.988068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.988068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.988068 (E_RNA)
where:
Base-Base interactions energy: -149.991
where: short stacking energy: -72.094
Base-Backbone interact. energy: -0.514
local terms energy: -95.482593
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -201.985205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.985205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.985205 (E_RNA)
where:
Base-Base interactions energy: -98.251
where: short stacking energy: -63.943
Base-Backbone interact. energy: -1.142
local terms energy: -102.592800
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -27.905
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -196.057024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.057024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.057024 (E_RNA)
where:
Base-Base interactions energy: -101.547
where: short stacking energy: -52.900
Base-Backbone interact. energy: -1.171
local terms energy: -93.338940
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -8.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -169.549985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.549985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.549985 (E_RNA)
where:
Base-Base interactions energy: -75.035
where: short stacking energy: -35.708
Base-Backbone interact. energy: -0.859
local terms energy: -93.656047
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -27.971
flat angles C4'-P-C4' energy: -19.359
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -2.290
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: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -116.319886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.319886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.319886 (E_RNA)
where:
Base-Base interactions energy: -43.421
where: short stacking energy: -35.879
Base-Backbone interact. energy: -0.762
local terms energy: -72.137420
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -121.785542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.785542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.785542 (E_RNA)
where:
Base-Base interactions energy: -44.749
where: short stacking energy: -31.315
Base-Backbone interact. energy: -0.112
local terms energy: -76.924338
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.836
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: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -112.815937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.815937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.815937 (E_RNA)
where:
Base-Base interactions energy: -44.089
where: short stacking energy: -29.713
Base-Backbone interact. energy: 0.526
local terms energy: -69.252639
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: 2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -344.876025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.876025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.876025 (E_RNA)
where:
Base-Base interactions energy: -213.947
where: short stacking energy: -106.372
Base-Backbone interact. energy: -0.217
local terms energy: -130.711472
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -28.730
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -37.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -330.659283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.659283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.659283 (E_RNA)
where:
Base-Base interactions energy: -220.708
where: short stacking energy: -78.904
Base-Backbone interact. energy: -0.780
local terms energy: -109.171774
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -288.572730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.572730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.572730 (E_RNA)
where:
Base-Base interactions energy: -183.101
where: short stacking energy: -87.208
Base-Backbone interact. energy: -0.844
local terms energy: -104.628018
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -28.889
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: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -300.156012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.156012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.156012 (E_RNA)
where:
Base-Base interactions energy: -201.387
where: short stacking energy: -91.900
Base-Backbone interact. energy: 0.614
local terms energy: -99.382121
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -236.355017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.355017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.355017 (E_RNA)
where:
Base-Base interactions energy: -135.787
where: short stacking energy: -56.916
Base-Backbone interact. energy: 0.336
local terms energy: -100.904642
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -15.351
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: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -189.212867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.212867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.212867 (E_RNA)
where:
Base-Base interactions energy: -92.923
where: short stacking energy: -57.778
Base-Backbone interact. energy: 0.011
local terms energy: -96.300714
where:
bonds (distance) C4'-P energy: -26.916
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -12.443
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: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -133.254194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.254194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.254194 (E_RNA)
where:
Base-Base interactions energy: -49.623
where: short stacking energy: -44.334
Base-Backbone interact. energy: -0.280
local terms energy: -83.351865
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -10.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -186.277111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.277111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.277111 (E_RNA)
where:
Base-Base interactions energy: -102.314
where: short stacking energy: -53.219
Base-Backbone interact. energy: -0.705
local terms energy: -83.258717
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -11.251
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: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -126.541858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.541858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.541858 (E_RNA)
where:
Base-Base interactions energy: -43.909
where: short stacking energy: -43.909
Base-Backbone interact. energy: -0.908
local terms energy: -81.724849
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -130.034005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.034005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.034005 (E_RNA)
where:
Base-Base interactions energy: -56.022
where: short stacking energy: -42.779
Base-Backbone interact. energy: -0.032
local terms energy: -73.979775
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -332.687508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.687508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.687508 (E_RNA)
where:
Base-Base interactions energy: -216.143
where: short stacking energy: -107.813
Base-Backbone interact. energy: -0.876
local terms energy: -115.668694
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -30.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -337.542464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.542464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.542464 (E_RNA)
where:
Base-Base interactions energy: -230.346
where: short stacking energy: -97.900
Base-Backbone interact. energy: -0.881
local terms energy: -106.315181
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -14.986
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: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -292.593623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.593623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.593623 (E_RNA)
where:
Base-Base interactions energy: -187.434
where: short stacking energy: -84.797
Base-Backbone interact. energy: 0.217
local terms energy: -105.376723
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -310.820184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.820184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.820184 (E_RNA)
where:
Base-Base interactions energy: -201.726
where: short stacking energy: -82.432
Base-Backbone interact. energy: -0.170
local terms energy: -108.924112
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -257.709742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.709742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.709742 (E_RNA)
where:
Base-Base interactions energy: -146.511
where: short stacking energy: -68.242
Base-Backbone interact. energy: 0.194
local terms energy: -111.393267
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -26.320
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -185.306039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.306039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.306039 (E_RNA)
where:
Base-Base interactions energy: -98.844
where: short stacking energy: -50.694
Base-Backbone interact. energy: 0.161
local terms energy: -86.622469
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -128.282791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.282791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.282791 (E_RNA)
where:
Base-Base interactions energy: -44.661
where: short stacking energy: -38.324
Base-Backbone interact. energy: -0.338
local terms energy: -83.283615
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -145.362836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.362836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.362836 (E_RNA)
where:
Base-Base interactions energy: -58.446
where: short stacking energy: -53.272
Base-Backbone interact. energy: -0.086
local terms energy: -86.830192
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -28.098
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -163.631502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.631502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.631502 (E_RNA)
where:
Base-Base interactions energy: -78.576
where: short stacking energy: -52.717
Base-Backbone interact. energy: -0.217
local terms energy: -84.838778
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -111.765999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.765999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.765999 (E_RNA)
where:
Base-Base interactions energy: -33.432
where: short stacking energy: -31.014
Base-Backbone interact. energy: -0.051
local terms energy: -78.282902
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: 0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -327.256501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.256501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.256501 (E_RNA)
where:
Base-Base interactions energy: -212.433
where: short stacking energy: -85.178
Base-Backbone interact. energy: -0.999
local terms energy: -113.824770
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -19.454
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -334.034516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.034516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.034516 (E_RNA)
where:
Base-Base interactions energy: -196.531
where: short stacking energy: -109.639
Base-Backbone interact. energy: -1.758
local terms energy: -135.745034
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -40.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -323.232550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.232550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.232550 (E_RNA)
where:
Base-Base interactions energy: -198.701
where: short stacking energy: -94.196
Base-Backbone interact. energy: -0.110
local terms energy: -124.421848
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -21.234
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: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -257.505462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.505462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.505462 (E_RNA)
where:
Base-Base interactions energy: -158.268
where: short stacking energy: -75.691
Base-Backbone interact. energy: -0.993
local terms energy: -98.244253
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -16.657
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: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -306.610960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.610960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.610960 (E_RNA)
where:
Base-Base interactions energy: -190.077
where: short stacking energy: -89.293
Base-Backbone interact. energy: -0.132
local terms energy: -116.401996
where:
bonds (distance) C4'-P energy: -23.975
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -19.318
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: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -194.946316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.946316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.946316 (E_RNA)
where:
Base-Base interactions energy: -102.859
where: short stacking energy: -59.566
Base-Backbone interact. energy: -1.020
local terms energy: -91.067135
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -14.127
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: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -135.249485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.249485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.249485 (E_RNA)
where:
Base-Base interactions energy: -54.116
where: short stacking energy: -42.781
Base-Backbone interact. energy: 1.398
local terms energy: -82.530971
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -13.170
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: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -124.405663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.405663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.405663 (E_RNA)
where:
Base-Base interactions energy: -48.032
where: short stacking energy: -32.576
Base-Backbone interact. energy: -0.077
local terms energy: -76.296967
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: 3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -168.907669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.907669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.907669 (E_RNA)
where:
Base-Base interactions energy: -94.716
where: short stacking energy: -52.235
Base-Backbone interact. energy: -0.385
local terms energy: -73.806474
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -122.267143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.267143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.267143 (E_RNA)
where:
Base-Base interactions energy: -49.516
where: short stacking energy: -47.044
Base-Backbone interact. energy: -0.237
local terms energy: -72.514016
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -7.147
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: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -343.180841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.180841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.180841 (E_RNA)
where:
Base-Base interactions energy: -218.564
where: short stacking energy: -97.547
Base-Backbone interact. energy: -1.113
local terms energy: -123.503676
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -29.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -324.177066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.177066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.177066 (E_RNA)
where:
Base-Base interactions energy: -212.317
where: short stacking energy: -92.337
Base-Backbone interact. energy: -0.895
local terms energy: -110.964567
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -29.186
flat angles P-C4'-P energy: -15.894
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: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -310.919271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.919271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.919271 (E_RNA)
where:
Base-Base interactions energy: -187.863
where: short stacking energy: -90.736
Base-Backbone interact. energy: -0.889
local terms energy: -122.167305
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -28.160
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -24.684
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: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -316.485397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.485397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.485397 (E_RNA)
where:
Base-Base interactions energy: -200.660
where: short stacking energy: -96.787
Base-Backbone interact. energy: -0.339
local terms energy: -115.486771
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -29.642
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: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -246.283668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.283668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.283668 (E_RNA)
where:
Base-Base interactions energy: -143.357
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.123
local terms energy: -102.804349
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -27.741
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -146.965592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.965592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.965592 (E_RNA)
where:
Base-Base interactions energy: -66.628
where: short stacking energy: -31.770
Base-Backbone interact. energy: -0.820
local terms energy: -79.516917
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -138.740449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.740449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.740449 (E_RNA)
where:
Base-Base interactions energy: -51.164
where: short stacking energy: -35.072
Base-Backbone interact. energy: -1.247
local terms energy: -86.329132
where:
bonds (distance) C4'-P energy: -25.022
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -134.531942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.531942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.531942 (E_RNA)
where:
Base-Base interactions energy: -51.850
where: short stacking energy: -44.613
Base-Backbone interact. energy: -0.122
local terms energy: -82.559201
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -121.058010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.058010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.058010 (E_RNA)
where:
Base-Base interactions energy: -41.884
where: short stacking energy: -27.371
Base-Backbone interact. energy: 1.786
local terms energy: -80.960100
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -24.615
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -114.555957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.555957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.555957 (E_RNA)
where:
Base-Base interactions energy: -35.169
where: short stacking energy: -35.081
Base-Backbone interact. energy: -0.441
local terms energy: -78.946661
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -358.256509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.256509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.256509 (E_RNA)
where:
Base-Base interactions energy: -240.600
where: short stacking energy: -95.343
Base-Backbone interact. energy: -0.539
local terms energy: -117.116742
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -27.782
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -30.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -323.990780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.990780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.990780 (E_RNA)
where:
Base-Base interactions energy: -215.818
where: short stacking energy: -90.831
Base-Backbone interact. energy: -0.254
local terms energy: -107.918275
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -16.593
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: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -312.692582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.692582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.692582 (E_RNA)
where:
Base-Base interactions energy: -201.098
where: short stacking energy: -87.671
Base-Backbone interact. energy: -0.005
local terms energy: -111.590152
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -19.755
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: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -288.522225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.522225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.522225 (E_RNA)
where:
Base-Base interactions energy: -175.600
where: short stacking energy: -79.743
Base-Backbone interact. energy: -0.927
local terms energy: -111.995034
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -15.161
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: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -243.687877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.687877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.687877 (E_RNA)
where:
Base-Base interactions energy: -139.087
where: short stacking energy: -72.483
Base-Backbone interact. energy: -0.195
local terms energy: -104.406749
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -17.018
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: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -156.113970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.113970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.113970 (E_RNA)
where:
Base-Base interactions energy: -69.336
where: short stacking energy: -50.209
Base-Backbone interact. energy: 0.065
local terms energy: -86.843548
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -3.677
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: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -127.475133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.475133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.475133 (E_RNA)
where:
Base-Base interactions energy: -52.092
where: short stacking energy: -48.063
Base-Backbone interact. energy: -0.027
local terms energy: -75.356897
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -4.268
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: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -128.812018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.812018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.812018 (E_RNA)
where:
Base-Base interactions energy: -49.491
where: short stacking energy: -36.781
Base-Backbone interact. energy: 0.570
local terms energy: -79.890682
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -118.840797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.840797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.840797 (E_RNA)
where:
Base-Base interactions energy: -38.943
where: short stacking energy: -37.756
Base-Backbone interact. energy: -0.113
local terms energy: -79.784638
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -6.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -112.531155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.531155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.531155 (E_RNA)
where:
Base-Base interactions energy: -46.477
where: short stacking energy: -44.619
Base-Backbone interact. energy: 2.228
local terms energy: -68.281931
where:
bonds (distance) C4'-P energy: -19.670
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -6.102
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: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -375.243494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.243494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.243494 (E_RNA)
where:
Base-Base interactions energy: -244.931
where: short stacking energy: -107.431
Base-Backbone interact. energy: -1.471
local terms energy: -128.841041
where:
bonds (distance) C4'-P energy: -25.056
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -26.164
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -34.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -343.580461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.580461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.580461 (E_RNA)
where:
Base-Base interactions energy: -223.804
where: short stacking energy: -100.926
Base-Backbone interact. energy: 1.195
local terms energy: -120.971775
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -28.450
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -29.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -322.954797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.954797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.954797 (E_RNA)
where:
Base-Base interactions energy: -207.124
where: short stacking energy: -98.391
Base-Backbone interact. energy: 0.657
local terms energy: -116.487682
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -31.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -300.691811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.691811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.691811 (E_RNA)
where:
Base-Base interactions energy: -182.322
where: short stacking energy: -88.638
Base-Backbone interact. energy: 0.104
local terms energy: -118.473645
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -28.945
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: 37
Temperature: 1.100000
Total energy: -246.882010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.882010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.882010 (E_RNA)
where:
Base-Base interactions energy: -148.194
where: short stacking energy: -81.277
Base-Backbone interact. energy: -0.304
local terms energy: -98.383476
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -10.923
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: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -162.339138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.339138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.339138 (E_RNA)
where:
Base-Base interactions energy: -70.109
where: short stacking energy: -70.109
Base-Backbone interact. energy: 0.649
local terms energy: -92.879278
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -16.798
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: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -136.816992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.816992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.816992 (E_RNA)
where:
Base-Base interactions energy: -60.567
where: short stacking energy: -36.662
Base-Backbone interact. energy: -1.261
local terms energy: -74.989318
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: 1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -130.683004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.683004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.683004 (E_RNA)
where:
Base-Base interactions energy: -45.525
where: short stacking energy: -30.277
Base-Backbone interact. energy: -0.335
local terms energy: -84.823021
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -4.340
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: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -114.891725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.891725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.891725 (E_RNA)
where:
Base-Base interactions energy: -40.743
where: short stacking energy: -20.419
Base-Backbone interact. energy: 0.477
local terms energy: -74.626031
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -113.707717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.707717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.707717 (E_RNA)
where:
Base-Base interactions energy: -54.837
where: short stacking energy: -24.607
Base-Backbone interact. energy: 0.032
local terms energy: -58.901946
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: 10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -382.513396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.513396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.513396 (E_RNA)
where:
Base-Base interactions energy: -248.969
where: short stacking energy: -113.450
Base-Backbone interact. energy: -0.356
local terms energy: -133.188163
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -37.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -371.588298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.588298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.588298 (E_RNA)
where:
Base-Base interactions energy: -253.566
where: short stacking energy: -93.076
Base-Backbone interact. energy: -0.654
local terms energy: -117.368290
where:
bonds (distance) C4'-P energy: -26.069
bonds (distance) P-C4' energy: -26.895
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -24.762
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: 38
Temperature: 1.000000
Total energy: -340.067215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.067215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.067215 (E_RNA)
where:
Base-Base interactions energy: -217.128
where: short stacking energy: -100.158
Base-Backbone interact. energy: -0.203
local terms energy: -122.736364
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -35.040
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: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -293.000148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.000148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.000148 (E_RNA)
where:
Base-Base interactions energy: -183.364
where: short stacking energy: -86.691
Base-Backbone interact. energy: -0.010
local terms energy: -109.626356
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -26.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -214.152795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.152795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.152795 (E_RNA)
where:
Base-Base interactions energy: -119.196
where: short stacking energy: -65.796
Base-Backbone interact. energy: -0.144
local terms energy: -94.813109
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -141.599393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.599393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.599393 (E_RNA)
where:
Base-Base interactions energy: -53.192
where: short stacking energy: -51.934
Base-Backbone interact. energy: -0.168
local terms energy: -88.239294
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -27.212
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -123.940513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.940513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.940513 (E_RNA)
where:
Base-Base interactions energy: -43.575
where: short stacking energy: -42.839
Base-Backbone interact. energy: -1.566
local terms energy: -78.799597
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -162.879694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.879694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.879694 (E_RNA)
where:
Base-Base interactions energy: -86.125
where: short stacking energy: -48.277
Base-Backbone interact. energy: -0.394
local terms energy: -76.360155
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -131.907347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.907347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.907347 (E_RNA)
where:
Base-Base interactions energy: -45.774
where: short stacking energy: -44.380
Base-Backbone interact. energy: -0.163
local terms energy: -85.969864
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -119.144163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.144163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.144163 (E_RNA)
where:
Base-Base interactions energy: -36.317
where: short stacking energy: -33.061
Base-Backbone interact. energy: -0.508
local terms energy: -82.319545
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -367.128328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.128328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.128328 (E_RNA)
where:
Base-Base interactions energy: -251.111
where: short stacking energy: -101.940
Base-Backbone interact. energy: -1.093
local terms energy: -114.924028
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -30.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -363.466977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.466977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.466977 (E_RNA)
where:
Base-Base interactions energy: -239.853
where: short stacking energy: -94.587
Base-Backbone interact. energy: -1.338
local terms energy: -122.276481
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -325.984879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.984879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.984879 (E_RNA)
where:
Base-Base interactions energy: -206.988
where: short stacking energy: -110.954
Base-Backbone interact. energy: -0.296
local terms energy: -118.701459
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -33.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -312.154660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.154660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.154660 (E_RNA)
where:
Base-Base interactions energy: -208.601
where: short stacking energy: -96.328
Base-Backbone interact. energy: -0.867
local terms energy: -102.686489
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -244.807946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.807946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.807946 (E_RNA)
where:
Base-Base interactions energy: -138.176
where: short stacking energy: -73.799
Base-Backbone interact. energy: -0.202
local terms energy: -106.430028
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -156.715035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.715035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.715035 (E_RNA)
where:
Base-Base interactions energy: -77.333
where: short stacking energy: -76.962
Base-Backbone interact. energy: -0.100
local terms energy: -79.282679
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -130.126794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.126794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.126794 (E_RNA)
where:
Base-Base interactions energy: -42.132
where: short stacking energy: -42.132
Base-Backbone interact. energy: -0.165
local terms energy: -87.829724
where:
bonds (distance) C4'-P energy: -25.966
bonds (distance) P-C4' energy: -23.829
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -132.979411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.979411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.979411 (E_RNA)
where:
Base-Base interactions energy: -41.304
where: short stacking energy: -38.165
Base-Backbone interact. energy: 2.235
local terms energy: -93.910268
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -120.639660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.639660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.639660 (E_RNA)
where:
Base-Base interactions energy: -49.668
where: short stacking energy: -30.528
Base-Backbone interact. energy: 0.906
local terms energy: -71.877874
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: 0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -117.478850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.478850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.478850 (E_RNA)
where:
Base-Base interactions energy: -46.446
where: short stacking energy: -24.538
Base-Backbone interact. energy: -0.380
local terms energy: -70.652845
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -3.117
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: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -363.430636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.430636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.430636 (E_RNA)
where:
Base-Base interactions energy: -249.278
where: short stacking energy: -100.841
Base-Backbone interact. energy: 0.644
local terms energy: -114.797165
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -27.041
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -364.585397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.585397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.585397 (E_RNA)
where:
Base-Base interactions energy: -238.413
where: short stacking energy: -102.287
Base-Backbone interact. energy: -0.657
local terms energy: -125.514753
where:
bonds (distance) C4'-P energy: -26.362
bonds (distance) P-C4' energy: -25.428
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -31.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -310.440577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.440577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.440577 (E_RNA)
where:
Base-Base interactions energy: -201.617
where: short stacking energy: -90.649
Base-Backbone interact. energy: -0.664
local terms energy: -108.159105
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -329.515331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.515331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.515331 (E_RNA)
where:
Base-Base interactions energy: -203.136
where: short stacking energy: -101.698
Base-Backbone interact. energy: -0.016
local terms energy: -126.363543
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -32.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -282.470183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.470183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.470183 (E_RNA)
where:
Base-Base interactions energy: -182.711
where: short stacking energy: -71.148
Base-Backbone interact. energy: 2.400
local terms energy: -102.159027
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -162.812727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.812727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.812727 (E_RNA)
where:
Base-Base interactions energy: -75.591
where: short stacking energy: -51.296
Base-Backbone interact. energy: 1.895
local terms energy: -89.116402
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -132.832853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.832853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.832853 (E_RNA)
where:
Base-Base interactions energy: -53.574
where: short stacking energy: -41.970
Base-Backbone interact. energy: -1.210
local terms energy: -78.048875
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -2.070
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: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -133.197562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.197562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.197562 (E_RNA)
where:
Base-Base interactions energy: -50.234
where: short stacking energy: -49.195
Base-Backbone interact. energy: -0.059
local terms energy: -82.904036
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -128.907603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.907603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.907603 (E_RNA)
where:
Base-Base interactions energy: -53.260
where: short stacking energy: -44.717
Base-Backbone interact. energy: 0.257
local terms energy: -75.904441
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -105.796816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.796816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.796816 (E_RNA)
where:
Base-Base interactions energy: -32.001
where: short stacking energy: -30.950
Base-Backbone interact. energy: -1.400
local terms energy: -72.395659
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -357.920648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.920648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.920648 (E_RNA)
where:
Base-Base interactions energy: -250.895
where: short stacking energy: -100.378
Base-Backbone interact. energy: -1.279
local terms energy: -105.746740
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -369.804591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.804591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.804591 (E_RNA)
where:
Base-Base interactions energy: -253.764
where: short stacking energy: -88.948
Base-Backbone interact. energy: -1.993
local terms energy: -114.047277
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -29.258
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: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -314.904682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.904682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.904682 (E_RNA)
where:
Base-Base interactions energy: -195.412
where: short stacking energy: -95.830
Base-Backbone interact. energy: -1.577
local terms energy: -117.915899
where:
bonds (distance) C4'-P energy: -23.508
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -26.809
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -23.848
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: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -293.722422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.722422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.722422 (E_RNA)
where:
Base-Base interactions energy: -198.630
where: short stacking energy: -90.966
Base-Backbone interact. energy: -0.965
local terms energy: -94.127843
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -320.697833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.697833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.697833 (E_RNA)
where:
Base-Base interactions energy: -201.612
where: short stacking energy: -95.605
Base-Backbone interact. energy: 0.308
local terms energy: -119.394017
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -27.111
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -35.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -192.586255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.586255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.586255 (E_RNA)
where:
Base-Base interactions energy: -93.112
where: short stacking energy: -55.433
Base-Backbone interact. energy: -0.071
local terms energy: -99.402841
where:
bonds (distance) C4'-P energy: -23.548
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -165.782789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.782789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.782789 (E_RNA)
where:
Base-Base interactions energy: -84.111
where: short stacking energy: -53.084
Base-Backbone interact. energy: -0.775
local terms energy: -80.896927
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -136.027356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.027356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.027356 (E_RNA)
where:
Base-Base interactions energy: -47.788
where: short stacking energy: -36.753
Base-Backbone interact. energy: -0.251
local terms energy: -87.988654
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -112.539146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.539146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.539146 (E_RNA)
where:
Base-Base interactions energy: -30.559
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.256
local terms energy: -81.724959
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -27.538
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -14.294
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: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -112.991944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.991944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.991944 (E_RNA)
where:
Base-Base interactions energy: -40.370
where: short stacking energy: -38.934
Base-Backbone interact. energy: 0.102
local terms energy: -72.723950
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -3.572
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: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -388.637353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.637353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.637353 (E_RNA)
where:
Base-Base interactions energy: -251.699
where: short stacking energy: -103.524
Base-Backbone interact. energy: -1.145
local terms energy: -135.792772
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -36.903
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: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -347.254675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.254675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.254675 (E_RNA)
where:
Base-Base interactions energy: -235.454
where: short stacking energy: -100.117
Base-Backbone interact. energy: -0.427
local terms energy: -111.373605
where:
bonds (distance) C4'-P energy: -26.438
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -22.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -325.192108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.192108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.192108 (E_RNA)
where:
Base-Base interactions energy: -207.315
where: short stacking energy: -91.411
Base-Backbone interact. energy: 0.212
local terms energy: -118.089555
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -29.329
flat angles C4'-P-C4' energy: -28.741
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -22.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -283.033514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.033514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.033514 (E_RNA)
where:
Base-Base interactions energy: -167.912
where: short stacking energy: -81.497
Base-Backbone interact. energy: -0.119
local terms energy: -115.002659
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -22.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -239.254061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.254061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.254061 (E_RNA)
where:
Base-Base interactions energy: -148.051
where: short stacking energy: -80.860
Base-Backbone interact. energy: -0.325
local terms energy: -90.878304
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -12.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -278.904446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.904446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.904446 (E_RNA)
where:
Base-Base interactions energy: -180.113
where: short stacking energy: -78.355
Base-Backbone interact. energy: -1.025
local terms energy: -97.767168
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -150.423518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.423518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.423518 (E_RNA)
where:
Base-Base interactions energy: -76.737
where: short stacking energy: -43.932
Base-Backbone interact. energy: -0.081
local terms energy: -73.605415
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -130.152023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.152023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.152023 (E_RNA)
where:
Base-Base interactions energy: -42.707
where: short stacking energy: -41.226
Base-Backbone interact. energy: -0.338
local terms energy: -87.106404
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -12.091
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: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -139.716768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.716768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.716768 (E_RNA)
where:
Base-Base interactions energy: -71.923
where: short stacking energy: -40.125
Base-Backbone interact. energy: -0.931
local terms energy: -66.862360
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -24.634
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: 3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -123.279121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.279121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.279121 (E_RNA)
where:
Base-Base interactions energy: -48.422
where: short stacking energy: -44.784
Base-Backbone interact. energy: -0.086
local terms energy: -74.771423
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -5.995
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: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -375.336042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.336042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.336042 (E_RNA)
where:
Base-Base interactions energy: -254.251
where: short stacking energy: -107.550
Base-Backbone interact. energy: -1.712
local terms energy: -119.372962
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -25.602
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -31.413
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: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -345.492434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.492434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.492434 (E_RNA)
where:
Base-Base interactions energy: -231.170
where: short stacking energy: -103.968
Base-Backbone interact. energy: -0.913
local terms energy: -113.409388
where:
bonds (distance) C4'-P energy: -22.605
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -14.748
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: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -336.740894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.740894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.740894 (E_RNA)
where:
Base-Base interactions energy: -219.426
where: short stacking energy: -101.676
Base-Backbone interact. energy: -0.139
local terms energy: -117.175494
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -29.069
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -256.898253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.898253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.898253 (E_RNA)
where:
Base-Base interactions energy: -156.539
where: short stacking energy: -71.512
Base-Backbone interact. energy: -0.391
local terms energy: -99.968247
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -28.883
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -249.333622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.333622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.333622 (E_RNA)
where:
Base-Base interactions energy: -151.383
where: short stacking energy: -75.941
Base-Backbone interact. energy: -0.842
local terms energy: -97.107803
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -268.699881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.699881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.699881 (E_RNA)
where:
Base-Base interactions energy: -166.133
where: short stacking energy: -67.641
Base-Backbone interact. energy: 0.847
local terms energy: -103.413647
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -146.288177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.288177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.288177 (E_RNA)
where:
Base-Base interactions energy: -72.647
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.203
local terms energy: -73.437435
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -212.996855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.996855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.996855 (E_RNA)
where:
Base-Base interactions energy: -126.099
where: short stacking energy: -55.443
Base-Backbone interact. energy: -0.462
local terms energy: -86.435442
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -26.458
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -117.382205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.382205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.382205 (E_RNA)
where:
Base-Base interactions energy: -48.143
where: short stacking energy: -40.489
Base-Backbone interact. energy: 0.313
local terms energy: -69.552182
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -25.739
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -4.640
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: 10, replica: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -136.826642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.826642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.826642 (E_RNA)
where:
Base-Base interactions energy: -65.949
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.147
local terms energy: -70.730607
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -16.581
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: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -360.242004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.242004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.242004 (E_RNA)
where:
Base-Base interactions energy: -235.149
where: short stacking energy: -102.540
Base-Backbone interact. energy: -0.405
local terms energy: -124.688013
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -31.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -331.463249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.463249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.463249 (E_RNA)
where:
Base-Base interactions energy: -218.623
where: short stacking energy: -97.446
Base-Backbone interact. energy: -0.528
local terms energy: -112.311756
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -25.719
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -27.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -340.332406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.332406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.332406 (E_RNA)
where:
Base-Base interactions energy: -230.710
where: short stacking energy: -98.380
Base-Backbone interact. energy: -0.096
local terms energy: -109.526641
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -281.521737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.521737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.521737 (E_RNA)
where:
Base-Base interactions energy: -180.504
where: short stacking energy: -72.707
Base-Backbone interact. energy: -0.263
local terms energy: -100.754634
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -271.821937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.821937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.821937 (E_RNA)
where:
Base-Base interactions energy: -167.644
where: short stacking energy: -79.352
Base-Backbone interact. energy: -1.115
local terms energy: -103.063484
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -15.375
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: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -239.178563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.178563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.178563 (E_RNA)
where:
Base-Base interactions energy: -154.313
where: short stacking energy: -80.630
Base-Backbone interact. energy: -0.223
local terms energy: -84.642793
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -252.914848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.914848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.914848 (E_RNA)
where:
Base-Base interactions energy: -151.146
where: short stacking energy: -75.588
Base-Backbone interact. energy: -0.035
local terms energy: -101.733962
where:
bonds (distance) C4'-P energy: -24.594
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -18.888
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: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -136.349789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.349789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.349789 (E_RNA)
where:
Base-Base interactions energy: -58.889
where: short stacking energy: -37.916
Base-Backbone interact. energy: -0.240
local terms energy: -77.221021
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: 2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -110.699931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.699931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.699931 (E_RNA)
where:
Base-Base interactions energy: -39.192
where: short stacking energy: -39.192
Base-Backbone interact. energy: -0.688
local terms energy: -70.819966
where:
bonds (distance) C4'-P energy: -25.177
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -116.997107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.997107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.997107 (E_RNA)
where:
Base-Base interactions energy: -49.169
where: short stacking energy: -38.821
Base-Backbone interact. energy: -0.417
local terms energy: -67.410921
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: 3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -384.182253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.182253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.182253 (E_RNA)
where:
Base-Base interactions energy: -254.491
where: short stacking energy: -112.037
Base-Backbone interact. energy: 1.310
local terms energy: -131.000783
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -36.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -327.014651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.014651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.014651 (E_RNA)
where:
Base-Base interactions energy: -215.952
where: short stacking energy: -92.441
Base-Backbone interact. energy: -0.100
local terms energy: -110.962717
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -23.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -305.705967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.705967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.705967 (E_RNA)
where:
Base-Base interactions energy: -199.704
where: short stacking energy: -99.047
Base-Backbone interact. energy: -0.449
local terms energy: -105.553050
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -264.873164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.873164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.873164 (E_RNA)
where:
Base-Base interactions energy: -165.128
where: short stacking energy: -77.451
Base-Backbone interact. energy: -0.616
local terms energy: -99.128562
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -26.974
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -256.241077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.241077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.241077 (E_RNA)
where:
Base-Base interactions energy: -150.134
where: short stacking energy: -82.690
Base-Backbone interact. energy: -0.267
local terms energy: -105.840101
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -14.098
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: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -272.231830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.231830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.231830 (E_RNA)
where:
Base-Base interactions energy: -161.342
where: short stacking energy: -69.093
Base-Backbone interact. energy: -1.135
local terms energy: -109.754974
where:
bonds (distance) C4'-P energy: -28.536
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -10.796
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: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -217.928502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.928502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.928502 (E_RNA)
where:
Base-Base interactions energy: -121.976
where: short stacking energy: -70.174
Base-Backbone interact. energy: -0.072
local terms energy: -95.880205
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -127.516911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.516911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.516911 (E_RNA)
where:
Base-Base interactions energy: -46.403
where: short stacking energy: -36.284
Base-Backbone interact. energy: -0.496
local terms energy: -80.617582
where:
bonds (distance) C4'-P energy: -26.595
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -10.503
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: 9, replica: 2
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -122.239788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.239788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.239788 (E_RNA)
where:
Base-Base interactions energy: -44.239
where: short stacking energy: -43.415
Base-Backbone interact. energy: -0.039
local terms energy: -77.961513
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -8.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -114.976670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.976670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.976670 (E_RNA)
where:
Base-Base interactions energy: -42.931
where: short stacking energy: -26.828
Base-Backbone interact. energy: -0.198
local terms energy: -71.847068
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -1.682
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: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -382.399178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.399178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.399178 (E_RNA)
where:
Base-Base interactions energy: -258.245
where: short stacking energy: -108.431
Base-Backbone interact. energy: -0.740
local terms energy: -123.413364
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -34.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -355.998219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.998219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.998219 (E_RNA)
where:
Base-Base interactions energy: -242.871
where: short stacking energy: -113.709
Base-Backbone interact. energy: -0.373
local terms energy: -112.754095
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -16.082
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: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -297.052331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.052331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.052331 (E_RNA)
where:
Base-Base interactions energy: -197.977
where: short stacking energy: -77.190
Base-Backbone interact. energy: -0.487
local terms energy: -98.588133
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -20.504
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: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -274.884100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.884100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.884100 (E_RNA)
where:
Base-Base interactions energy: -170.198
where: short stacking energy: -78.217
Base-Backbone interact. energy: -0.412
local terms energy: -104.273971
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -12.008
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: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -282.119697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.119697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.119697 (E_RNA)
where:
Base-Base interactions energy: -173.942
where: short stacking energy: -83.329
Base-Backbone interact. energy: -0.110
local terms energy: -108.067673
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -25.950
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -24.853
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: 46
Temperature: 1.150000
Total energy: -224.741169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.741169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.741169 (E_RNA)
where:
Base-Base interactions energy: -131.487
where: short stacking energy: -71.506
Base-Backbone interact. energy: 3.474
local terms energy: -96.728257
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -24.436
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -233.254159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.254159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.254159 (E_RNA)
where:
Base-Base interactions energy: -136.135
where: short stacking energy: -56.853
Base-Backbone interact. energy: -0.244
local terms energy: -96.874421
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -14.649
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: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -130.641369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.641369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.641369 (E_RNA)
where:
Base-Base interactions energy: -44.150
where: short stacking energy: -39.598
Base-Backbone interact. energy: -1.060
local terms energy: -85.431001
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -12.646
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: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -132.557351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.557351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.557351 (E_RNA)
where:
Base-Base interactions energy: -62.981
where: short stacking energy: -47.881
Base-Backbone interact. energy: -0.576
local terms energy: -69.000142
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -117.352896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.352896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.352896 (E_RNA)
where:
Base-Base interactions energy: -33.796
where: short stacking energy: -29.118
Base-Backbone interact. energy: 0.910
local terms energy: -84.466686
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -25.860
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -383.894408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.894408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.894408 (E_RNA)
where:
Base-Base interactions energy: -256.792
where: short stacking energy: -115.402
Base-Backbone interact. energy: -0.413
local terms energy: -126.689446
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -36.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -356.035963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.035963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.035963 (E_RNA)
where:
Base-Base interactions energy: -221.952
where: short stacking energy: -103.189
Base-Backbone interact. energy: -1.060
local terms energy: -133.024525
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -36.638
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: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -308.773299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.773299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.773299 (E_RNA)
where:
Base-Base interactions energy: -199.493
where: short stacking energy: -93.540
Base-Backbone interact. energy: -0.170
local terms energy: -109.111072
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -25.488
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: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -275.132083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.132083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.132083 (E_RNA)
where:
Base-Base interactions energy: -168.977
where: short stacking energy: -74.032
Base-Backbone interact. energy: -0.210
local terms energy: -105.945094
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -265.111347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.111347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.111347 (E_RNA)
where:
Base-Base interactions energy: -167.077
where: short stacking energy: -63.803
Base-Backbone interact. energy: -0.192
local terms energy: -97.841486
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -7.990
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: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -209.120259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.120259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.120259 (E_RNA)
where:
Base-Base interactions energy: -122.220
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.931
local terms energy: -85.969224
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -213.224890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.224890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.224890 (E_RNA)
where:
Base-Base interactions energy: -118.262
where: short stacking energy: -67.138
Base-Backbone interact. energy: -0.908
local terms energy: -94.054427
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -131.150505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.150505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.150505 (E_RNA)
where:
Base-Base interactions energy: -57.296
where: short stacking energy: -38.482
Base-Backbone interact. energy: -0.840
local terms energy: -73.013653
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -21.004
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -115.501156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.501156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.501156 (E_RNA)
where:
Base-Base interactions energy: -40.183
where: short stacking energy: -33.573
Base-Backbone interact. energy: -0.381
local terms energy: -74.937395
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -124.371953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.371953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.371953 (E_RNA)
where:
Base-Base interactions energy: -51.365
where: short stacking energy: -35.691
Base-Backbone interact. energy: -1.365
local terms energy: -71.641295
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: 3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -388.020292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.020292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.020292 (E_RNA)
where:
Base-Base interactions energy: -255.741
where: short stacking energy: -110.925
Base-Backbone interact. energy: -0.261
local terms energy: -132.018391
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -35.834
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: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -332.101113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.101113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.101113 (E_RNA)
where:
Base-Base interactions energy: -226.637
where: short stacking energy: -88.793
Base-Backbone interact. energy: -0.229
local terms energy: -105.235828
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -307.728013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.728013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.728013 (E_RNA)
where:
Base-Base interactions energy: -190.498
where: short stacking energy: -92.154
Base-Backbone interact. energy: -0.251
local terms energy: -116.978929
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -25.891
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -325.116435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.116435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.116435 (E_RNA)
where:
Base-Base interactions energy: -216.521
where: short stacking energy: -101.442
Base-Backbone interact. energy: -0.659
local terms energy: -107.936977
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -28.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -270.987244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.987244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.987244 (E_RNA)
where:
Base-Base interactions energy: -161.611
where: short stacking energy: -90.061
Base-Backbone interact. energy: -0.797
local terms energy: -108.579641
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -27.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -216.039438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.039438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.039438 (E_RNA)
where:
Base-Base interactions energy: -128.685
where: short stacking energy: -58.150
Base-Backbone interact. energy: -0.449
local terms energy: -86.904797
where:
bonds (distance) C4'-P energy: -22.444
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -6.981
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: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -198.205812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.205812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.205812 (E_RNA)
where:
Base-Base interactions energy: -111.787
where: short stacking energy: -56.285
Base-Backbone interact. energy: 0.242
local terms energy: -86.660645
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -6.215
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: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -118.560620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.560620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.560620 (E_RNA)
where:
Base-Base interactions energy: -44.982
where: short stacking energy: -34.766
Base-Backbone interact. energy: -0.948
local terms energy: -72.630063
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -119.914444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.914444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.914444 (E_RNA)
where:
Base-Base interactions energy: -39.027
where: short stacking energy: -22.766
Base-Backbone interact. energy: -0.875
local terms energy: -80.013104
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -113.527481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.527481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.527481 (E_RNA)
where:
Base-Base interactions energy: -30.105
where: short stacking energy: -27.561
Base-Backbone interact. energy: -0.912
local terms energy: -82.510335
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -386.426368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.426368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.426368 (E_RNA)
where:
Base-Base interactions energy: -254.464
where: short stacking energy: -101.613
Base-Backbone interact. energy: 0.658
local terms energy: -132.620317
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -26.089
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -36.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -323.679959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.679959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.679959 (E_RNA)
where:
Base-Base interactions energy: -203.924
where: short stacking energy: -97.775
Base-Backbone interact. energy: 0.988
local terms energy: -120.743703
where:
bonds (distance) C4'-P energy: -26.786
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -16.163
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: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -339.868386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.868386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.868386 (E_RNA)
where:
Base-Base interactions energy: -225.723
where: short stacking energy: -99.665
Base-Backbone interact. energy: 0.163
local terms energy: -114.308743
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -26.933
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -28.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -298.592249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.592249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.592249 (E_RNA)
where:
Base-Base interactions energy: -192.102
where: short stacking energy: -82.809
Base-Backbone interact. energy: 0.558
local terms energy: -107.049044
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -25.438
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -268.971677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.971677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.971677 (E_RNA)
where:
Base-Base interactions energy: -157.235
where: short stacking energy: -78.500
Base-Backbone interact. energy: -0.310
local terms energy: -111.426067
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -29.122
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -20.036
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: 49
Temperature: 1.150000
Total energy: -243.676657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.676657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.676657 (E_RNA)
where:
Base-Base interactions energy: -143.709
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.128
local terms energy: -99.839920
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -194.991801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.991801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.991801 (E_RNA)
where:
Base-Base interactions energy: -109.143
where: short stacking energy: -48.390
Base-Backbone interact. energy: -1.386
local terms energy: -84.463142
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -14.487
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: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -139.115451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.115451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.115451 (E_RNA)
where:
Base-Base interactions energy: -61.190
where: short stacking energy: -31.455
Base-Backbone interact. energy: -0.616
local terms energy: -77.309366
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -7.682
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: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -124.023301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.023301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.023301 (E_RNA)
where:
Base-Base interactions energy: -48.072
where: short stacking energy: -28.047
Base-Backbone interact. energy: -0.213
local terms energy: -75.738785
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: 0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -119.183266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.183266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.183266 (E_RNA)
where:
Base-Base interactions energy: -45.818
where: short stacking energy: -37.685
Base-Backbone interact. energy: 0.312
local terms energy: -73.677110
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -376.198628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.198628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.198628 (E_RNA)
where:
Base-Base interactions energy: -259.945
where: short stacking energy: -100.336
Base-Backbone interact. energy: -0.801
local terms energy: -115.453225
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -27.292
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -30.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -330.172688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.172688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.172688 (E_RNA)
where:
Base-Base interactions energy: -211.409
where: short stacking energy: -93.942
Base-Backbone interact. energy: -1.301
local terms energy: -117.462691
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -28.248
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: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -336.155317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.155317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.155317 (E_RNA)
where:
Base-Base interactions energy: -229.037
where: short stacking energy: -106.547
Base-Backbone interact. energy: -0.877
local terms energy: -106.240903
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -16.701
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: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -289.060969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.060969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.060969 (E_RNA)
where:
Base-Base interactions energy: -179.831
where: short stacking energy: -83.623
Base-Backbone interact. energy: -0.119
local terms energy: -109.110794
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -275.515669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.515669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.515669 (E_RNA)
where:
Base-Base interactions energy: -165.218
where: short stacking energy: -82.457
Base-Backbone interact. energy: -1.066
local terms energy: -109.232107
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -23.569
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -26.649
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: 50
Temperature: 1.150000
Total energy: -249.255526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.255526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.255526 (E_RNA)
where:
Base-Base interactions energy: -160.191
where: short stacking energy: -81.241
Base-Backbone interact. energy: -0.207
local terms energy: -88.857950
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -224.852784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.852784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.852784 (E_RNA)
where:
Base-Base interactions energy: -127.867
where: short stacking energy: -52.133
Base-Backbone interact. energy: 1.392
local terms energy: -98.377948
where:
bonds (distance) C4'-P energy: -26.814
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -5.796
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: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -134.005835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.005835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.005835 (E_RNA)
where:
Base-Base interactions energy: -61.033
where: short stacking energy: -52.332
Base-Backbone interact. energy: -0.078
local terms energy: -72.894989
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -7.904
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: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -179.079986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.079986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.079986 (E_RNA)
where:
Base-Base interactions energy: -109.444
where: short stacking energy: -41.663
Base-Backbone interact. energy: 1.806
local terms energy: -71.442225
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -128.792973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.792973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.792973 (E_RNA)
where:
Base-Base interactions energy: -50.687
where: short stacking energy: -26.915
Base-Backbone interact. energy: 0.342
local terms energy: -78.447494
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: 5.316
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: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -395.930856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.930856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.930856 (E_RNA)
where:
Base-Base interactions energy: -268.548
where: short stacking energy: -112.566
Base-Backbone interact. energy: -0.517
local terms energy: -126.865977
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -36.480
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: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -309.441308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.441308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.441308 (E_RNA)
where:
Base-Base interactions energy: -197.227
where: short stacking energy: -95.627
Base-Backbone interact. energy: -0.131
local terms energy: -112.083086
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -28.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -315.016941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.016941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.016941 (E_RNA)
where:
Base-Base interactions energy: -215.078
where: short stacking energy: -91.316
Base-Backbone interact. energy: -0.522
local terms energy: -99.417481
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -13.374
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: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -262.094442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.094442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.094442 (E_RNA)
where:
Base-Base interactions energy: -145.815
where: short stacking energy: -77.851
Base-Backbone interact. energy: -0.077
local terms energy: -116.202589
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -17.593
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: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -302.898945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.898945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.898945 (E_RNA)
where:
Base-Base interactions energy: -200.379
where: short stacking energy: -82.077
Base-Backbone interact. energy: -0.093
local terms energy: -102.427651
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -237.582623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.582623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.582623 (E_RNA)
where:
Base-Base interactions energy: -124.372
where: short stacking energy: -64.678
Base-Backbone interact. energy: -0.926
local terms energy: -112.283907
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -19.320
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: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -241.882987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.882987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.882987 (E_RNA)
where:
Base-Base interactions energy: -149.738
where: short stacking energy: -72.383
Base-Backbone interact. energy: -0.329
local terms energy: -91.816650
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -211.731035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.731035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.731035 (E_RNA)
where:
Base-Base interactions energy: -139.689
where: short stacking energy: -61.895
Base-Backbone interact. energy: 0.418
local terms energy: -72.460539
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -26.538
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -130.914944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.914944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.914944 (E_RNA)
where:
Base-Base interactions energy: -47.308
where: short stacking energy: -43.693
Base-Backbone interact. energy: 1.305
local terms energy: -84.911955
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -5.451
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: 51
Temperature: 1.350000
Total energy: -112.669792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.669792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.669792 (E_RNA)
where:
Base-Base interactions energy: -32.838
where: short stacking energy: -32.349
Base-Backbone interact. energy: 0.045
local terms energy: -79.877669
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -2.267
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: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -378.059592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.059592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.059592 (E_RNA)
where:
Base-Base interactions energy: -259.037
where: short stacking energy: -97.652
Base-Backbone interact. energy: 1.320
local terms energy: -120.342901
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -26.072
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -36.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -313.880157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.880157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.880157 (E_RNA)
where:
Base-Base interactions energy: -199.293
where: short stacking energy: -94.598
Base-Backbone interact. energy: -0.492
local terms energy: -114.095039
where:
bonds (distance) C4'-P energy: -24.558
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -27.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -332.281437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.281437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.281437 (E_RNA)
where:
Base-Base interactions energy: -228.850
where: short stacking energy: -104.537
Base-Backbone interact. energy: -0.199
local terms energy: -103.232948
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -24.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -304.190813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.190813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.190813 (E_RNA)
where:
Base-Base interactions energy: -189.327
where: short stacking energy: -90.388
Base-Backbone interact. energy: 1.777
local terms energy: -116.640807
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -27.529
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -301.277822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.277822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.277822 (E_RNA)
where:
Base-Base interactions energy: -191.922
where: short stacking energy: -86.545
Base-Backbone interact. energy: -0.268
local terms energy: -109.088133
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -18.566
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: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -242.167537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167537 (E_RNA)
where:
Base-Base interactions energy: -142.971
where: short stacking energy: -67.515
Base-Backbone interact. energy: -1.288
local terms energy: -97.908894
where:
bonds (distance) C4'-P energy: -23.070
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -18.170
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: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -237.344621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.344621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.344621 (E_RNA)
where:
Base-Base interactions energy: -144.086
where: short stacking energy: -57.281
Base-Backbone interact. energy: -0.076
local terms energy: -93.182148
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -240.518407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.518407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.518407 (E_RNA)
where:
Base-Base interactions energy: -165.264
where: short stacking energy: -81.261
Base-Backbone interact. energy: -0.127
local terms energy: -75.126894
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -13.681
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: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -125.235914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.235914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.235914 (E_RNA)
where:
Base-Base interactions energy: -39.731
where: short stacking energy: -39.232
Base-Backbone interact. energy: -0.451
local terms energy: -85.054204
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -112.713785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.713785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.713785 (E_RNA)
where:
Base-Base interactions energy: -38.448
where: short stacking energy: -38.448
Base-Backbone interact. energy: -0.191
local terms energy: -74.074798
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -370.771745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.771745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.771745 (E_RNA)
where:
Base-Base interactions energy: -254.138
where: short stacking energy: -107.309
Base-Backbone interact. energy: -0.257
local terms energy: -116.376619
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -32.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -317.434525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.434525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.434525 (E_RNA)
where:
Base-Base interactions energy: -209.901
where: short stacking energy: -88.496
Base-Backbone interact. energy: -0.836
local terms energy: -106.698291
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -16.669
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: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -317.969319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.969319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.969319 (E_RNA)
where:
Base-Base interactions energy: -204.891
where: short stacking energy: -96.271
Base-Backbone interact. energy: -0.106
local terms energy: -112.971901
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -26.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -296.341675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.341675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.341675 (E_RNA)
where:
Base-Base interactions energy: -203.398
where: short stacking energy: -89.107
Base-Backbone interact. energy: -0.332
local terms energy: -92.611283
where:
bonds (distance) C4'-P energy: -24.887
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -18.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -284.860645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.860645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.860645 (E_RNA)
where:
Base-Base interactions energy: -175.595
where: short stacking energy: -89.226
Base-Backbone interact. energy: -0.074
local terms energy: -109.191052
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -28.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -279.573573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.573573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.573573 (E_RNA)
where:
Base-Base interactions energy: -175.352
where: short stacking energy: -78.903
Base-Backbone interact. energy: 0.817
local terms energy: -105.038994
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -24.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -223.114356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.114356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.114356 (E_RNA)
where:
Base-Base interactions energy: -134.864
where: short stacking energy: -81.435
Base-Backbone interact. energy: 0.175
local terms energy: -88.425576
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -13.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -252.586480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.586480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.586480 (E_RNA)
where:
Base-Base interactions energy: -159.411
where: short stacking energy: -71.388
Base-Backbone interact. energy: -0.549
local terms energy: -92.627046
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -11.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -131.256898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.256898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.256898 (E_RNA)
where:
Base-Base interactions energy: -54.574
where: short stacking energy: -32.913
Base-Backbone interact. energy: -1.751
local terms energy: -74.931947
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -105.194805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.194805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.194805 (E_RNA)
where:
Base-Base interactions energy: -35.747
where: short stacking energy: -18.554
Base-Backbone interact. energy: 1.050
local terms energy: -70.497104
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: 2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -368.132387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.132387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.132387 (E_RNA)
where:
Base-Base interactions energy: -237.741
where: short stacking energy: -102.414
Base-Backbone interact. energy: 1.947
local terms energy: -132.338728
where:
bonds (distance) C4'-P energy: -29.003
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -19.458
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: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -319.520266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.520266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.520266 (E_RNA)
where:
Base-Base interactions energy: -203.032
where: short stacking energy: -89.604
Base-Backbone interact. energy: -0.576
local terms energy: -115.912816
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -19.709
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: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -325.124328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.124328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.124328 (E_RNA)
where:
Base-Base interactions energy: -212.834
where: short stacking energy: -97.389
Base-Backbone interact. energy: -0.085
local terms energy: -112.205261
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -21.064
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: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -307.418152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.418152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.418152 (E_RNA)
where:
Base-Base interactions energy: -197.847
where: short stacking energy: -86.568
Base-Backbone interact. energy: -0.317
local terms energy: -109.254168
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -17.998
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: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -303.433182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.433182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.433182 (E_RNA)
where:
Base-Base interactions energy: -194.988
where: short stacking energy: -92.426
Base-Backbone interact. energy: -0.430
local terms energy: -108.015123
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -28.502
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: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -262.581626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.581626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.581626 (E_RNA)
where:
Base-Base interactions energy: -154.995
where: short stacking energy: -69.590
Base-Backbone interact. energy: -0.864
local terms energy: -106.722610
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -239.084589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.084589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.084589 (E_RNA)
where:
Base-Base interactions energy: -148.178
where: short stacking energy: -64.533
Base-Backbone interact. energy: 0.222
local terms energy: -91.128536
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -203.253497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.253497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.253497 (E_RNA)
where:
Base-Base interactions energy: -109.602
where: short stacking energy: -53.311
Base-Backbone interact. energy: 4.663
local terms energy: -98.315254
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -29.215
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -121.859356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.859356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.859356 (E_RNA)
where:
Base-Base interactions energy: -38.060
where: short stacking energy: -36.794
Base-Backbone interact. energy: 0.132
local terms energy: -83.930848
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -26.759
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: 2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -123.074498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.074498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.074498 (E_RNA)
where:
Base-Base interactions energy: -44.186
where: short stacking energy: -43.186
Base-Backbone interact. energy: -0.194
local terms energy: -78.694844
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -25.556
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -11.719
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: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -381.787446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.787446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.787446 (E_RNA)
where:
Base-Base interactions energy: -247.871
where: short stacking energy: -103.289
Base-Backbone interact. energy: -0.172
local terms energy: -133.744331
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -34.942
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: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -320.092995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.092995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.092995 (E_RNA)
where:
Base-Base interactions energy: -204.290
where: short stacking energy: -95.090
Base-Backbone interact. energy: -0.029
local terms energy: -115.773684
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -27.811
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: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -319.726065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.726065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.726065 (E_RNA)
where:
Base-Base interactions energy: -207.949
where: short stacking energy: -90.601
Base-Backbone interact. energy: -0.195
local terms energy: -111.582444
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -19.512
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: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -303.929691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.929691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.929691 (E_RNA)
where:
Base-Base interactions energy: -190.244
where: short stacking energy: -91.706
Base-Backbone interact. energy: -0.173
local terms energy: -113.513031
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -302.144362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.144362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.144362 (E_RNA)
where:
Base-Base interactions energy: -195.533
where: short stacking energy: -91.745
Base-Backbone interact. energy: -0.147
local terms energy: -106.465189
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -23.304
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: 55
Temperature: 1.150000
Total energy: -272.881038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.881038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.881038 (E_RNA)
where:
Base-Base interactions energy: -175.158
where: short stacking energy: -80.113
Base-Backbone interact. energy: -0.269
local terms energy: -97.453802
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -14.391
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: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -198.391234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.391234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.391234 (E_RNA)
where:
Base-Base interactions energy: -106.552
where: short stacking energy: -42.251
Base-Backbone interact. energy: -0.681
local terms energy: -91.158076
where:
bonds (distance) C4'-P energy: -25.997
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -272.801114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.801114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.801114 (E_RNA)
where:
Base-Base interactions energy: -175.048
where: short stacking energy: -80.325
Base-Backbone interact. energy: -0.329
local terms energy: -97.424665
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -25.964
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -24.752
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: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -110.410202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.410202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.410202 (E_RNA)
where:
Base-Base interactions energy: -35.135
where: short stacking energy: -33.053
Base-Backbone interact. energy: 0.279
local terms energy: -75.554234
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -109.960039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.960039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.960039 (E_RNA)
where:
Base-Base interactions energy: -32.333
where: short stacking energy: -28.262
Base-Backbone interact. energy: -0.382
local terms energy: -77.244715
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -335.957786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.957786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.957786 (E_RNA)
where:
Base-Base interactions energy: -214.120
where: short stacking energy: -105.331
Base-Backbone interact. energy: -0.012
local terms energy: -121.825294
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -35.420
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: 56
Temperature: 0.950000
Total energy: -360.925065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.925065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.925065 (E_RNA)
where:
Base-Base interactions energy: -239.526
where: short stacking energy: -99.923
Base-Backbone interact. energy: -1.892
local terms energy: -119.507524
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -31.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -326.008042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.008042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.008042 (E_RNA)
where:
Base-Base interactions energy: -206.387
where: short stacking energy: -90.297
Base-Backbone interact. energy: 0.354
local terms energy: -119.975544
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -23.817
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: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -296.843355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.843355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.843355 (E_RNA)
where:
Base-Base interactions energy: -188.315
where: short stacking energy: -85.403
Base-Backbone interact. energy: -0.337
local terms energy: -108.190929
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -283.717958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.717958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.717958 (E_RNA)
where:
Base-Base interactions energy: -180.525
where: short stacking energy: -68.816
Base-Backbone interact. energy: -1.108
local terms energy: -102.084799
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -268.670976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.670976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.670976 (E_RNA)
where:
Base-Base interactions energy: -170.339
where: short stacking energy: -74.731
Base-Backbone interact. energy: -0.545
local terms energy: -97.787223
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -315.249186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.249186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.249186 (E_RNA)
where:
Base-Base interactions energy: -194.371
where: short stacking energy: -86.555
Base-Backbone interact. energy: -0.219
local terms energy: -120.659401
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -26.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -199.383604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.383604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.383604 (E_RNA)
where:
Base-Base interactions energy: -110.407
where: short stacking energy: -50.886
Base-Backbone interact. energy: -1.541
local terms energy: -87.435878
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -119.031300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.031300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.031300 (E_RNA)
where:
Base-Base interactions energy: -48.598
where: short stacking energy: -32.400
Base-Backbone interact. energy: -0.737
local terms energy: -69.695891
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: 3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -114.788432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.788432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.788432 (E_RNA)
where:
Base-Base interactions energy: -39.441
where: short stacking energy: -29.237
Base-Backbone interact. energy: -0.094
local terms energy: -75.253374
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -25.499
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -347.522273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.522273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.522273 (E_RNA)
where:
Base-Base interactions energy: -222.298
where: short stacking energy: -108.832
Base-Backbone interact. energy: -0.800
local terms energy: -124.424247
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -26.038
flat angles P-C4'-P energy: -21.760
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: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -369.187729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.187729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.187729 (E_RNA)
where:
Base-Base interactions energy: -250.809
where: short stacking energy: -100.710
Base-Backbone interact. energy: 0.293
local terms energy: -118.671540
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -26.634
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -30.362
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: 6
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -303.488477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.488477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.488477 (E_RNA)
where:
Base-Base interactions energy: -196.396
where: short stacking energy: -84.293
Base-Backbone interact. energy: -0.523
local terms energy: -106.568960
where:
bonds (distance) C4'-P energy: -24.100
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -26.070
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -17.379
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: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -301.500450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.500450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.500450 (E_RNA)
where:
Base-Base interactions energy: -190.181
where: short stacking energy: -93.798
Base-Backbone interact. energy: -0.160
local terms energy: -111.159221
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -21.946
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: 57
Temperature: 1.100000
Total energy: -293.392263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.392263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.392263 (E_RNA)
where:
Base-Base interactions energy: -183.649
where: short stacking energy: -88.571
Base-Backbone interact. energy: 0.536
local terms energy: -110.279651
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -28.200
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -15.050
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: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -301.839790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.839790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.839790 (E_RNA)
where:
Base-Base interactions energy: -194.419
where: short stacking energy: -88.256
Base-Backbone interact. energy: -0.116
local terms energy: -107.305532
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -26.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -249.416147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.416147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.416147 (E_RNA)
where:
Base-Base interactions energy: -160.282
where: short stacking energy: -81.104
Base-Backbone interact. energy: -0.367
local terms energy: -88.766389
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -187.862233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.862233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.862233 (E_RNA)
where:
Base-Base interactions energy: -109.004
where: short stacking energy: -54.652
Base-Backbone interact. energy: -0.188
local terms energy: -78.669359
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -124.276624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.276624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.276624 (E_RNA)
where:
Base-Base interactions energy: -61.833
where: short stacking energy: -38.933
Base-Backbone interact. energy: 1.063
local terms energy: -63.506376
where:
bonds (distance) C4'-P energy: -24.812
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: 3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -120.574967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.574967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.574967 (E_RNA)
where:
Base-Base interactions energy: -41.560
where: short stacking energy: -37.450
Base-Backbone interact. energy: -0.459
local terms energy: -78.556345
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -24.438
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -16.114
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: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -380.749377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.749377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.749377 (E_RNA)
where:
Base-Base interactions energy: -265.446
where: short stacking energy: -101.111
Base-Backbone interact. energy: 0.102
local terms energy: -115.405659
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -31.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -339.362401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.362401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.362401 (E_RNA)
where:
Base-Base interactions energy: -215.324
where: short stacking energy: -111.793
Base-Backbone interact. energy: -1.764
local terms energy: -122.274999
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -34.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -307.550902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.550902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.550902 (E_RNA)
where:
Base-Base interactions energy: -197.171
where: short stacking energy: -104.078
Base-Backbone interact. energy: 0.383
local terms energy: -110.763038
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -26.988
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -29.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -320.469428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.469428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.469428 (E_RNA)
where:
Base-Base interactions energy: -210.686
where: short stacking energy: -85.304
Base-Backbone interact. energy: -0.143
local terms energy: -109.640525
where:
bonds (distance) C4'-P energy: -26.102
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -340.871088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.871088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.871088 (E_RNA)
where:
Base-Base interactions energy: -223.727
where: short stacking energy: -117.786
Base-Backbone interact. energy: -1.377
local terms energy: -115.767992
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -36.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -276.086826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.086826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.086826 (E_RNA)
where:
Base-Base interactions energy: -182.683
where: short stacking energy: -70.423
Base-Backbone interact. energy: -1.563
local terms energy: -91.840682
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -21.777
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -12.836
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: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -260.236223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.236223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.236223 (E_RNA)
where:
Base-Base interactions energy: -159.921
where: short stacking energy: -79.944
Base-Backbone interact. energy: 1.615
local terms energy: -101.929553
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -157.449019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.449019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.449019 (E_RNA)
where:
Base-Base interactions energy: -88.221
where: short stacking energy: -25.160
Base-Backbone interact. energy: -0.319
local terms energy: -68.909619
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: 3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -127.399083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399083 (E_RNA)
where:
Base-Base interactions energy: -38.796
where: short stacking energy: -31.121
Base-Backbone interact. energy: -0.538
local terms energy: -88.064943
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -117.445404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.445404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.445404 (E_RNA)
where:
Base-Base interactions energy: -58.695
where: short stacking energy: -26.802
Base-Backbone interact. energy: -0.436
local terms energy: -58.314264
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: 3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -373.030615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.030615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.030615 (E_RNA)
where:
Base-Base interactions energy: -253.707
where: short stacking energy: -106.371
Base-Backbone interact. energy: -0.315
local terms energy: -119.008413
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -27.991
flat angles P-C4'-P energy: -20.050
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: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -344.317276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.317276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.317276 (E_RNA)
where:
Base-Base interactions energy: -226.908
where: short stacking energy: -109.861
Base-Backbone interact. energy: -0.553
local terms energy: -116.856432
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -26.788
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -25.832
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: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -319.495569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.495569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.495569 (E_RNA)
where:
Base-Base interactions energy: -206.980
where: short stacking energy: -103.490
Base-Backbone interact. energy: -0.524
local terms energy: -111.991575
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -13.745
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: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -340.542606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.542606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.542606 (E_RNA)
where:
Base-Base interactions energy: -218.329
where: short stacking energy: -89.034
Base-Backbone interact. energy: -0.161
local terms energy: -122.052853
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -26.430
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -31.050
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: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -294.833922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.833922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.833922 (E_RNA)
where:
Base-Base interactions energy: -191.855
where: short stacking energy: -85.962
Base-Backbone interact. energy: -1.325
local terms energy: -101.653706
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -15.635
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: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -273.874238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.874238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.874238 (E_RNA)
where:
Base-Base interactions energy: -180.051
where: short stacking energy: -72.151
Base-Backbone interact. energy: -0.656
local terms energy: -93.166955
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -248.508768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.508768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.508768 (E_RNA)
where:
Base-Base interactions energy: -158.522
where: short stacking energy: -59.977
Base-Backbone interact. energy: 0.171
local terms energy: -90.157545
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -25.929
flat angles C4'-P-C4' energy: -25.627
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -164.616467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.616467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.616467 (E_RNA)
where:
Base-Base interactions energy: -79.552
where: short stacking energy: -38.743
Base-Backbone interact. energy: -0.347
local terms energy: -84.716875
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -119.455804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.455804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.455804 (E_RNA)
where:
Base-Base interactions energy: -37.266
where: short stacking energy: -36.346
Base-Backbone interact. energy: 2.163
local terms energy: -84.352849
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -115.157516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.157516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.157516 (E_RNA)
where:
Base-Base interactions energy: -37.054
where: short stacking energy: -30.194
Base-Backbone interact. energy: -0.261
local terms energy: -77.842609
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -335.324146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.324146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.324146 (E_RNA)
where:
Base-Base interactions energy: -217.053
where: short stacking energy: -94.850
Base-Backbone interact. energy: -0.258
local terms energy: -118.012343
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -29.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -374.155080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.155080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.155080 (E_RNA)
where:
Base-Base interactions energy: -257.488
where: short stacking energy: -116.406
Base-Backbone interact. energy: -0.185
local terms energy: -116.482125
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -30.982
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: 60
Temperature: 1.000000
Total energy: -341.302836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.302836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.302836 (E_RNA)
where:
Base-Base interactions energy: -224.114
where: short stacking energy: -101.472
Base-Backbone interact. energy: -0.281
local terms energy: -116.907883
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -28.558
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -28.633
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: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -304.797091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.797091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.797091 (E_RNA)
where:
Base-Base interactions energy: -190.801
where: short stacking energy: -87.315
Base-Backbone interact. energy: -0.494
local terms energy: -113.502413
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -23.922
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: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -305.746025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.746025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.746025 (E_RNA)
where:
Base-Base interactions energy: -199.330
where: short stacking energy: -90.851
Base-Backbone interact. energy: -0.800
local terms energy: -105.616052
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -292.175103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.175103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.175103 (E_RNA)
where:
Base-Base interactions energy: -186.012
where: short stacking energy: -79.039
Base-Backbone interact. energy: -0.152
local terms energy: -106.010960
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -288.682342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.682342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.682342 (E_RNA)
where:
Base-Base interactions energy: -190.933
where: short stacking energy: -74.438
Base-Backbone interact. energy: -0.457
local terms energy: -97.291972
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -24.527
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -134.162042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.162042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.162042 (E_RNA)
where:
Base-Base interactions energy: -58.100
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.458
local terms energy: -75.604128
where:
bonds (distance) C4'-P energy: -27.034
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: 1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -115.301443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.301443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.301443 (E_RNA)
where:
Base-Base interactions energy: -25.032
where: short stacking energy: -17.124
Base-Backbone interact. energy: -0.049
local terms energy: -90.220646
where:
bonds (distance) C4'-P energy: -28.668
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -118.357737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.357737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.357737 (E_RNA)
where:
Base-Base interactions energy: -35.346
where: short stacking energy: -35.231
Base-Backbone interact. energy: -1.182
local terms energy: -81.829925
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -331.465605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.465605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.465605 (E_RNA)
where:
Base-Base interactions energy: -219.300
where: short stacking energy: -106.544
Base-Backbone interact. energy: -0.113
local terms energy: -112.052546
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -28.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -355.803977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.803977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.803977 (E_RNA)
where:
Base-Base interactions energy: -228.957
where: short stacking energy: -108.680
Base-Backbone interact. energy: -0.027
local terms energy: -126.819111
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -21.069
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: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -362.494492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.494492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.494492 (E_RNA)
where:
Base-Base interactions energy: -242.096
where: short stacking energy: -103.674
Base-Backbone interact. energy: -0.004
local terms energy: -120.394591
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -34.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -288.389620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.389620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.389620 (E_RNA)
where:
Base-Base interactions energy: -194.456
where: short stacking energy: -84.258
Base-Backbone interact. energy: -0.245
local terms energy: -93.688527
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -24.178
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -10.253
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: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -287.602851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.602851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.602851 (E_RNA)
where:
Base-Base interactions energy: -180.963
where: short stacking energy: -87.319
Base-Backbone interact. energy: -0.938
local terms energy: -105.701845
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -26.000
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -279.586055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.586055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.586055 (E_RNA)
where:
Base-Base interactions energy: -173.043
where: short stacking energy: -83.224
Base-Backbone interact. energy: -0.083
local terms energy: -106.459912
where:
bonds (distance) C4'-P energy: -25.534
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -19.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -267.164900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.164900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.164900 (E_RNA)
where:
Base-Base interactions energy: -169.476
where: short stacking energy: -73.344
Base-Backbone interact. energy: -0.400
local terms energy: -97.288849
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -120.138081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.138081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.138081 (E_RNA)
where:
Base-Base interactions energy: -41.697
where: short stacking energy: -33.731
Base-Backbone interact. energy: 2.001
local terms energy: -80.442258
where:
bonds (distance) C4'-P energy: -25.739
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -0.709
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: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -110.728765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.728765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.728765 (E_RNA)
where:
Base-Base interactions energy: -42.622
where: short stacking energy: -28.268
Base-Backbone interact. energy: -0.068
local terms energy: -68.038792
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: 6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -110.991833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.991833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.991833 (E_RNA)
where:
Base-Base interactions energy: -45.825
where: short stacking energy: -41.739
Base-Backbone interact. energy: -0.104
local terms energy: -65.062961
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -5.032
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -9.168
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: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -360.082755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.082755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.082755 (E_RNA)
where:
Base-Base interactions energy: -229.897
where: short stacking energy: -114.691
Base-Backbone interact. energy: -0.006
local terms energy: -130.180097
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -24.283
flat angles C4'-P-C4' energy: -27.176
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -35.425
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: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -343.904993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.904993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.904993 (E_RNA)
where:
Base-Base interactions energy: -221.294
where: short stacking energy: -110.801
Base-Backbone interact. energy: 0.309
local terms energy: -122.919973
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -31.051
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: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -358.029446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.029446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.029446 (E_RNA)
where:
Base-Base interactions energy: -235.663
where: short stacking energy: -100.667
Base-Backbone interact. energy: -0.075
local terms energy: -122.290977
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -24.436
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -28.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -319.467870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.467870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.467870 (E_RNA)
where:
Base-Base interactions energy: -211.089
where: short stacking energy: -89.987
Base-Backbone interact. energy: -1.227
local terms energy: -107.152626
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -21.004
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -282.024785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.024785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.024785 (E_RNA)
where:
Base-Base interactions energy: -176.096
where: short stacking energy: -85.077
Base-Backbone interact. energy: 0.162
local terms energy: -106.091516
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -290.456066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.456066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.456066 (E_RNA)
where:
Base-Base interactions energy: -183.386
where: short stacking energy: -81.929
Base-Backbone interact. energy: -0.141
local terms energy: -106.929000
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -28.191
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -257.757409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.757409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.757409 (E_RNA)
where:
Base-Base interactions energy: -149.074
where: short stacking energy: -70.602
Base-Backbone interact. energy: -0.122
local terms energy: -108.562152
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -26.942
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -130.182610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.182610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.182610 (E_RNA)
where:
Base-Base interactions energy: -43.367
where: short stacking energy: -41.595
Base-Backbone interact. energy: -0.476
local terms energy: -86.339229
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -27.211
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -126.448435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.448435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.448435 (E_RNA)
where:
Base-Base interactions energy: -48.277
where: short stacking energy: -41.894
Base-Backbone interact. energy: 0.786
local terms energy: -78.957188
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: 1.615
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: 10, replica: 3
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -109.899433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.899433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.899433 (E_RNA)
where:
Base-Base interactions energy: -43.576
where: short stacking energy: -40.896
Base-Backbone interact. energy: -0.218
local terms energy: -66.106068
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -352.948372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.948372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.948372 (E_RNA)
where:
Base-Base interactions energy: -230.569
where: short stacking energy: -109.699
Base-Backbone interact. energy: -0.008
local terms energy: -122.371482
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -29.432
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -30.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -363.552334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.552334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.552334 (E_RNA)
where:
Base-Base interactions energy: -244.001
where: short stacking energy: -100.471
Base-Backbone interact. energy: -0.509
local terms energy: -119.041926
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -28.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -319.555645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.555645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.555645 (E_RNA)
where:
Base-Base interactions energy: -206.714
where: short stacking energy: -104.562
Base-Backbone interact. energy: -0.127
local terms energy: -112.714004
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -22.742
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -28.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -298.372378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.372378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.372378 (E_RNA)
where:
Base-Base interactions energy: -197.745
where: short stacking energy: -84.249
Base-Backbone interact. energy: -0.469
local terms energy: -100.158635
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -264.002839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.002839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.002839 (E_RNA)
where:
Base-Base interactions energy: -162.671
where: short stacking energy: -77.792
Base-Backbone interact. energy: 0.868
local terms energy: -102.199385
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -259.114450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.114450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.114450 (E_RNA)
where:
Base-Base interactions energy: -159.429
where: short stacking energy: -79.711
Base-Backbone interact. energy: -0.961
local terms energy: -98.725114
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -19.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -273.516818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.516818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.516818 (E_RNA)
where:
Base-Base interactions energy: -178.077
where: short stacking energy: -81.908
Base-Backbone interact. energy: 0.828
local terms energy: -96.268297
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -17.936
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: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -128.791000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.791000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.791000 (E_RNA)
where:
Base-Base interactions energy: -37.578
where: short stacking energy: -33.193
Base-Backbone interact. energy: -0.129
local terms energy: -91.083412
where:
bonds (distance) C4'-P energy: -24.215
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -3.427
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: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -123.510583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.510583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.510583 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -21.950
Base-Backbone interact. energy: -0.569
local terms energy: -88.406925
where:
bonds (distance) C4'-P energy: -26.781
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: 3.005
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: 3
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -112.450000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.450000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.450000 (E_RNA)
where:
Base-Base interactions energy: -39.786
where: short stacking energy: -40.106
Base-Backbone interact. energy: 0.420
local terms energy: -73.084360
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -372.558979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.558979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.558979 (E_RNA)
where:
Base-Base interactions energy: -247.134
where: short stacking energy: -95.675
Base-Backbone interact. energy: -0.292
local terms energy: -125.132836
where:
bonds (distance) C4'-P energy: -27.105
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -29.767
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: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -361.794761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.794761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.794761 (E_RNA)
where:
Base-Base interactions energy: -229.553
where: short stacking energy: -109.499
Base-Backbone interact. energy: -0.081
local terms energy: -132.160983
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -26.280
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -32.159
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: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -299.327727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.327727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.327727 (E_RNA)
where:
Base-Base interactions energy: -199.193
where: short stacking energy: -81.099
Base-Backbone interact. energy: -0.482
local terms energy: -99.653335
where:
bonds (distance) C4'-P energy: -25.905
bonds (distance) P-C4' energy: -25.394
flat angles C4'-P-C4' energy: -20.684
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -15.124
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: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -315.374082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.374082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.374082 (E_RNA)
where:
Base-Base interactions energy: -201.033
where: short stacking energy: -92.860
Base-Backbone interact. energy: -0.686
local terms energy: -113.655272
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -25.088
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -27.641
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: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -294.495116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.495116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.495116 (E_RNA)
where:
Base-Base interactions energy: -182.156
where: short stacking energy: -83.034
Base-Backbone interact. energy: -1.305
local terms energy: -111.034887
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -29.570
flat angles P-C4'-P energy: -16.014
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: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -261.898261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.898261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.898261 (E_RNA)
where:
Base-Base interactions energy: -165.358
where: short stacking energy: -64.599
Base-Backbone interact. energy: -0.888
local terms energy: -95.652267
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -12.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -265.186239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.186239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.186239 (E_RNA)
where:
Base-Base interactions energy: -169.550
where: short stacking energy: -74.861
Base-Backbone interact. energy: -1.571
local terms energy: -94.065087
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -20.192
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: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -149.396221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.396221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.396221 (E_RNA)
where:
Base-Base interactions energy: -54.588
where: short stacking energy: -51.560
Base-Backbone interact. energy: -0.210
local terms energy: -94.598143
where:
bonds (distance) C4'-P energy: -23.234
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -130.608065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.608065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.608065 (E_RNA)
where:
Base-Base interactions energy: -50.967
where: short stacking energy: -35.472
Base-Backbone interact. energy: 0.088
local terms energy: -79.729078
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -107.023575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.023575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.023575 (E_RNA)
where:
Base-Base interactions energy: -27.826
where: short stacking energy: -26.872
Base-Backbone interact. energy: -0.130
local terms energy: -79.067691
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -27.411
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: 3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -363.026707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.026707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.026707 (E_RNA)
where:
Base-Base interactions energy: -243.815
where: short stacking energy: -94.636
Base-Backbone interact. energy: -0.134
local terms energy: -119.076863
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -25.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -356.367981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.367981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.367981 (E_RNA)
where:
Base-Base interactions energy: -233.798
where: short stacking energy: -115.224
Base-Backbone interact. energy: -0.658
local terms energy: -121.912095
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -33.796
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: 3, replica: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -309.332911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.332911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.332911 (E_RNA)
where:
Base-Base interactions energy: -200.837
where: short stacking energy: -96.999
Base-Backbone interact. energy: -0.021
local terms energy: -108.474560
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -24.160
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -299.190620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.190620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.190620 (E_RNA)
where:
Base-Base interactions energy: -178.904
where: short stacking energy: -87.544
Base-Backbone interact. energy: 0.243
local terms energy: -120.529163
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -27.858
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: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -296.665730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.665730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.665730 (E_RNA)
where:
Base-Base interactions energy: -178.997
where: short stacking energy: -89.136
Base-Backbone interact. energy: -0.097
local terms energy: -117.572003
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -26.665
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -274.518119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.518119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.518119 (E_RNA)
where:
Base-Base interactions energy: -167.961
where: short stacking energy: -65.832
Base-Backbone interact. energy: -0.213
local terms energy: -106.343877
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -263.509774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.509774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.509774 (E_RNA)
where:
Base-Base interactions energy: -166.736
where: short stacking energy: -70.295
Base-Backbone interact. energy: -0.217
local terms energy: -96.557249
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -123.874350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.874350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.874350 (E_RNA)
where:
Base-Base interactions energy: -44.013
where: short stacking energy: -43.202
Base-Backbone interact. energy: -0.343
local terms energy: -79.518606
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -126.814579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.814579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.814579 (E_RNA)
where:
Base-Base interactions energy: -46.196
where: short stacking energy: -44.977
Base-Backbone interact. energy: -0.122
local terms energy: -80.496040
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -8.533
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: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -116.323621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.323621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.323621 (E_RNA)
where:
Base-Base interactions energy: -37.682
where: short stacking energy: -37.682
Base-Backbone interact. energy: -0.801
local terms energy: -77.840175
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -366.609845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.609845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.609845 (E_RNA)
where:
Base-Base interactions energy: -236.555
where: short stacking energy: -117.943
Base-Backbone interact. energy: -0.004
local terms energy: -130.050714
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -39.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -358.633277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.633277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.633277 (E_RNA)
where:
Base-Base interactions energy: -240.400
where: short stacking energy: -99.646
Base-Backbone interact. energy: -0.276
local terms energy: -117.957458
where:
bonds (distance) C4'-P energy: -26.557
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -26.657
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: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -303.356524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.356524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.356524 (E_RNA)
where:
Base-Base interactions energy: -182.362
where: short stacking energy: -95.508
Base-Backbone interact. energy: -0.696
local terms energy: -120.298267
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -24.246
flat angles C4'-P-C4' energy: -26.355
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -27.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -289.176879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.176879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.176879 (E_RNA)
where:
Base-Base interactions energy: -191.325
where: short stacking energy: -83.786
Base-Backbone interact. energy: -0.644
local terms energy: -97.207835
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -297.208243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.208243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.208243 (E_RNA)
where:
Base-Base interactions energy: -193.340
where: short stacking energy: -80.502
Base-Backbone interact. energy: -0.305
local terms energy: -103.563117
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -272.794275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.794275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.794275 (E_RNA)
where:
Base-Base interactions energy: -166.901
where: short stacking energy: -69.536
Base-Backbone interact. energy: -1.003
local terms energy: -104.890282
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -15.127
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: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -250.201102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.201102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.201102 (E_RNA)
where:
Base-Base interactions energy: -153.209
where: short stacking energy: -66.837
Base-Backbone interact. energy: -0.067
local terms energy: -96.924765
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -117.879534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.879534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.879534 (E_RNA)
where:
Base-Base interactions energy: -37.961
where: short stacking energy: -37.284
Base-Backbone interact. energy: -0.386
local terms energy: -79.532568
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -130.644614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.644614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.644614 (E_RNA)
where:
Base-Base interactions energy: -54.747
where: short stacking energy: -38.580
Base-Backbone interact. energy: 1.084
local terms energy: -76.981714
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -106.462514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.462514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.462514 (E_RNA)
where:
Base-Base interactions energy: -29.519
where: short stacking energy: -25.953
Base-Backbone interact. energy: -0.435
local terms energy: -76.509342
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -365.794628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.794628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.794628 (E_RNA)
where:
Base-Base interactions energy: -233.378
where: short stacking energy: -114.868
Base-Backbone interact. energy: -0.008
local terms energy: -132.408693
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -37.403
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: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -381.672392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.672392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.672392 (E_RNA)
where:
Base-Base interactions energy: -258.635
where: short stacking energy: -112.881
Base-Backbone interact. energy: -0.145
local terms energy: -122.891755
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -30.084
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: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -304.375227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.375227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.375227 (E_RNA)
where:
Base-Base interactions energy: -199.100
where: short stacking energy: -100.566
Base-Backbone interact. energy: -0.464
local terms energy: -104.810459
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -20.386
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: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -313.470799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.470799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.470799 (E_RNA)
where:
Base-Base interactions energy: -204.352
where: short stacking energy: -104.136
Base-Backbone interact. energy: -1.094
local terms energy: -108.024928
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -28.151
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: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -296.318215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.318215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.318215 (E_RNA)
where:
Base-Base interactions energy: -198.924
where: short stacking energy: -84.184
Base-Backbone interact. energy: -0.310
local terms energy: -97.083934
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -15.896
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: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -277.317682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.317682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.317682 (E_RNA)
where:
Base-Base interactions energy: -174.962
where: short stacking energy: -81.659
Base-Backbone interact. energy: -0.377
local terms energy: -101.978891
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: -25.013
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: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -278.924469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.924469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.924469 (E_RNA)
where:
Base-Base interactions energy: -191.487
where: short stacking energy: -85.232
Base-Backbone interact. energy: 0.542
local terms energy: -87.979349
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -25.972
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -0.490
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: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -124.036843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.036843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.036843 (E_RNA)
where:
Base-Base interactions energy: -56.522
where: short stacking energy: -38.627
Base-Backbone interact. energy: -0.217
local terms energy: -67.297470
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: 5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -121.642956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.642956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.642956 (E_RNA)
where:
Base-Base interactions energy: -39.406
where: short stacking energy: -31.253
Base-Backbone interact. energy: -0.239
local terms energy: -81.998146
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -0.160
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: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -120.530691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.530691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.530691 (E_RNA)
where:
Base-Base interactions energy: -49.870
where: short stacking energy: -26.376
Base-Backbone interact. energy: 2.428
local terms energy: -73.088744
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: 3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -374.704911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.704911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.704911 (E_RNA)
where:
Base-Base interactions energy: -261.454
where: short stacking energy: -112.443
Base-Backbone interact. energy: 0.753
local terms energy: -114.004596
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -26.371
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: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -360.577679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.577679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.577679 (E_RNA)
where:
Base-Base interactions energy: -230.440
where: short stacking energy: -114.906
Base-Backbone interact. energy: -0.742
local terms energy: -129.395240
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -40.266
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: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -322.081169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.081169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.081169 (E_RNA)
where:
Base-Base interactions energy: -212.159
where: short stacking energy: -101.875
Base-Backbone interact. energy: 0.203
local terms energy: -110.125244
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -303.238535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.238535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.238535 (E_RNA)
where:
Base-Base interactions energy: -190.535
where: short stacking energy: -88.584
Base-Backbone interact. energy: -0.649
local terms energy: -112.054193
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -28.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -281.614125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.614125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.614125 (E_RNA)
where:
Base-Base interactions energy: -184.437
where: short stacking energy: -73.080
Base-Backbone interact. energy: -0.169
local terms energy: -97.008943
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -17.170
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: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -273.139652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.139652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.139652 (E_RNA)
where:
Base-Base interactions energy: -171.180
where: short stacking energy: -73.245
Base-Backbone interact. energy: -0.952
local terms energy: -101.008105
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -18.385
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: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -288.585711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.585711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.585711 (E_RNA)
where:
Base-Base interactions energy: -182.568
where: short stacking energy: -80.936
Base-Backbone interact. energy: -0.337
local terms energy: -105.680672
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -124.626643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.626643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.626643 (E_RNA)
where:
Base-Base interactions energy: -41.746
where: short stacking energy: -39.734
Base-Backbone interact. energy: -0.457
local terms energy: -82.424287
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -9.384
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: 68
Temperature: 1.300000
Total energy: -120.149711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.149711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.149711 (E_RNA)
where:
Base-Base interactions energy: -41.754
where: short stacking energy: -41.638
Base-Backbone interact. energy: -0.112
local terms energy: -78.284517
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -24.699
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -109.765490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.765490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.765490 (E_RNA)
where:
Base-Base interactions energy: -37.865
where: short stacking energy: -31.905
Base-Backbone interact. energy: -0.819
local terms energy: -71.081444
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: 5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -387.040410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.040410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.040410 (E_RNA)
where:
Base-Base interactions energy: -262.331
where: short stacking energy: -115.781
Base-Backbone interact. energy: -0.629
local terms energy: -124.079876
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -28.918
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: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -358.638822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.638822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.638822 (E_RNA)
where:
Base-Base interactions energy: -228.224
where: short stacking energy: -115.581
Base-Backbone interact. energy: -0.005
local terms energy: -130.409023
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -26.172
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -39.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -307.834013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.834013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.834013 (E_RNA)
where:
Base-Base interactions energy: -196.792
where: short stacking energy: -91.256
Base-Backbone interact. energy: -0.493
local terms energy: -110.548843
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -317.126520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.126520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.126520 (E_RNA)
where:
Base-Base interactions energy: -198.037
where: short stacking energy: -82.877
Base-Backbone interact. energy: -0.252
local terms energy: -118.837485
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: -25.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -270.178490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.178490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.178490 (E_RNA)
where:
Base-Base interactions energy: -175.998
where: short stacking energy: -68.595
Base-Backbone interact. energy: -1.256
local terms energy: -92.924127
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -12.778
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: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -289.905149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.905149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.905149 (E_RNA)
where:
Base-Base interactions energy: -184.531
where: short stacking energy: -100.785
Base-Backbone interact. energy: -0.159
local terms energy: -105.215435
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -25.407
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -27.841
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: 69
Temperature: 1.200000
Total energy: -288.015194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.015194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.015194 (E_RNA)
where:
Base-Base interactions energy: -182.557
where: short stacking energy: -87.411
Base-Backbone interact. energy: -0.433
local terms energy: -105.025640
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -25.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -142.485862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.485862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.485862 (E_RNA)
where:
Base-Base interactions energy: -61.897
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.235
local terms energy: -80.353545
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -137.721050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.721050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.721050 (E_RNA)
where:
Base-Base interactions energy: -65.013
where: short stacking energy: -30.440
Base-Backbone interact. energy: -1.758
local terms energy: -70.950685
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -12.175
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: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -120.272303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.272303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.272303 (E_RNA)
where:
Base-Base interactions energy: -39.016
where: short stacking energy: -30.535
Base-Backbone interact. energy: 1.866
local terms energy: -83.122163
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -384.057986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.057986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.057986 (E_RNA)
where:
Base-Base interactions energy: -270.460
where: short stacking energy: -116.188
Base-Backbone interact. energy: -0.562
local terms energy: -113.036574
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -29.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -362.362111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.362111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.362111 (E_RNA)
where:
Base-Base interactions energy: -230.125
where: short stacking energy: -110.947
Base-Backbone interact. energy: -0.316
local terms energy: -131.921602
where:
bonds (distance) C4'-P energy: -24.149
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -31.379
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -34.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -349.754647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.754647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.754647 (E_RNA)
where:
Base-Base interactions energy: -235.498
where: short stacking energy: -97.258
Base-Backbone interact. energy: -0.344
local terms energy: -113.913140
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -288.197901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.197901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.197901 (E_RNA)
where:
Base-Base interactions energy: -179.679
where: short stacking energy: -81.919
Base-Backbone interact. energy: -1.286
local terms energy: -107.232649
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -17.886
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: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -272.116839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.116839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.116839 (E_RNA)
where:
Base-Base interactions energy: -161.176
where: short stacking energy: -76.710
Base-Backbone interact. energy: -0.122
local terms energy: -110.818740
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -24.704
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -276.919739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.919739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.919739 (E_RNA)
where:
Base-Base interactions energy: -165.520
where: short stacking energy: -87.119
Base-Backbone interact. energy: -0.307
local terms energy: -111.092426
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -23.079
tors. eta vs tors. theta energy: -24.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -245.562617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.562617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.562617 (E_RNA)
where:
Base-Base interactions energy: -159.388
where: short stacking energy: -59.275
Base-Backbone interact. energy: -0.300
local terms energy: -85.873892
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -129.866890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.866890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.866890 (E_RNA)
where:
Base-Base interactions energy: -49.237
where: short stacking energy: -35.713
Base-Backbone interact. energy: -0.623
local terms energy: -80.006981
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -136.476081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.476081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.476081 (E_RNA)
where:
Base-Base interactions energy: -55.695
where: short stacking energy: -54.131
Base-Backbone interact. energy: -0.109
local terms energy: -80.672232
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -113.570059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.570059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.570059 (E_RNA)
where:
Base-Base interactions energy: -48.986
where: short stacking energy: -38.479
Base-Backbone interact. energy: -0.237
local terms energy: -64.346510
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: 4.535
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: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -375.690312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.690312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.690312 (E_RNA)
where:
Base-Base interactions energy: -245.987
where: short stacking energy: -99.941
Base-Backbone interact. energy: -0.630
local terms energy: -129.072942
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -25.460
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -32.675
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -356.653451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.653451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.653451 (E_RNA)
where:
Base-Base interactions energy: -223.910
where: short stacking energy: -102.705
Base-Backbone interact. energy: -0.957
local terms energy: -131.786193
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -31.880
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: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -352.683464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.683464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.683464 (E_RNA)
where:
Base-Base interactions energy: -226.536
where: short stacking energy: -98.317
Base-Backbone interact. energy: -0.385
local terms energy: -125.762498
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -34.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -291.926721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.926721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.926721 (E_RNA)
where:
Base-Base interactions energy: -180.599
where: short stacking energy: -81.604
Base-Backbone interact. energy: 0.022
local terms energy: -111.350138
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -27.372
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -21.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -302.058624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.058624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.058624 (E_RNA)
where:
Base-Base interactions energy: -195.006
where: short stacking energy: -88.657
Base-Backbone interact. energy: -1.287
local terms energy: -105.766383
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -15.857
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: 6, replica: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -278.087125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.087125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.087125 (E_RNA)
where:
Base-Base interactions energy: -182.175
where: short stacking energy: -71.928
Base-Backbone interact. energy: -0.274
local terms energy: -95.637926
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -21.777
tors. eta vs tors. theta energy: -16.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -249.756948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.756948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.756948 (E_RNA)
where:
Base-Base interactions energy: -159.120
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.926
local terms energy: -89.711150
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -17.492
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: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -127.035605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.035605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.035605 (E_RNA)
where:
Base-Base interactions energy: -40.831
where: short stacking energy: -35.925
Base-Backbone interact. energy: -0.123
local terms energy: -86.081454
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -122.791636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.791636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.791636 (E_RNA)
where:
Base-Base interactions energy: -41.286
where: short stacking energy: -33.153
Base-Backbone interact. energy: 0.129
local terms energy: -81.634636
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -112.844155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.844155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.844155 (E_RNA)
where:
Base-Base interactions energy: -47.040
where: short stacking energy: -22.201
Base-Backbone interact. energy: -0.901
local terms energy: -64.903195
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: 4.809
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: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -377.620774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.620774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.620774 (E_RNA)
where:
Base-Base interactions energy: -253.219
where: short stacking energy: -102.788
Base-Backbone interact. energy: -0.200
local terms energy: -124.201647
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -29.997
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: 72
Temperature: 0.950000
Total energy: -344.923275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.923275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.923275 (E_RNA)
where:
Base-Base interactions energy: -223.675
where: short stacking energy: -95.657
Base-Backbone interact. energy: -0.163
local terms energy: -121.085203
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -24.591
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: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -358.809624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.809624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.809624 (E_RNA)
where:
Base-Base interactions energy: -226.112
where: short stacking energy: -105.569
Base-Backbone interact. energy: -0.119
local terms energy: -132.579075
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -35.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -295.133588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.133588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.133588 (E_RNA)
where:
Base-Base interactions energy: -176.731
where: short stacking energy: -93.617
Base-Backbone interact. energy: 0.004
local terms energy: -118.406589
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -283.379221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.379221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.379221 (E_RNA)
where:
Base-Base interactions energy: -186.082
where: short stacking energy: -93.273
Base-Backbone interact. energy: 0.294
local terms energy: -97.591634
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -23.975
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: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -278.976730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.976730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.976730 (E_RNA)
where:
Base-Base interactions energy: -189.020
where: short stacking energy: -74.529
Base-Backbone interact. energy: -0.926
local terms energy: -89.030668
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -13.408
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: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -246.322928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.322928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.322928 (E_RNA)
where:
Base-Base interactions energy: -170.965
where: short stacking energy: -75.811
Base-Backbone interact. energy: 1.957
local terms energy: -77.314794
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -124.436392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.436392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.436392 (E_RNA)
where:
Base-Base interactions energy: -46.964
where: short stacking energy: -40.145
Base-Backbone interact. energy: -0.101
local terms energy: -77.372216
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -124.915402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.915402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.915402 (E_RNA)
where:
Base-Base interactions energy: -54.739
where: short stacking energy: -40.557
Base-Backbone interact. energy: -0.997
local terms energy: -69.179207
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: 0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -106.499569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.499569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.499569 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -31.054
Base-Backbone interact. energy: -0.957
local terms energy: -73.768310
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -386.636262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.636262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.636262 (E_RNA)
where:
Base-Base interactions energy: -263.126
where: short stacking energy: -116.213
Base-Backbone interact. energy: 0.707
local terms energy: -124.217344
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -26.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -364.800603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.800603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.800603 (E_RNA)
where:
Base-Base interactions energy: -240.241
where: short stacking energy: -119.415
Base-Backbone interact. energy: -0.015
local terms energy: -124.544313
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -25.464
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -36.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -344.641812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.641812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.641812 (E_RNA)
where:
Base-Base interactions energy: -222.338
where: short stacking energy: -91.290
Base-Backbone interact. energy: -0.643
local terms energy: -121.660618
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -26.182
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -30.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -287.590230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.590230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.590230 (E_RNA)
where:
Base-Base interactions energy: -178.608
where: short stacking energy: -88.541
Base-Backbone interact. energy: -0.152
local terms energy: -108.830822
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -26.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -285.104472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.104472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.104472 (E_RNA)
where:
Base-Base interactions energy: -173.547
where: short stacking energy: -81.973
Base-Backbone interact. energy: -0.285
local terms energy: -111.273393
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -24.968
flat angles P-C4'-P energy: -18.458
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -291.184716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.184716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.184716 (E_RNA)
where:
Base-Base interactions energy: -194.957
where: short stacking energy: -85.090
Base-Backbone interact. energy: -0.157
local terms energy: -96.070421
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -27.470
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -255.674539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.674539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.674539 (E_RNA)
where:
Base-Base interactions energy: -169.103
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.241
local terms energy: -86.331236
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -131.139155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.139155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.139155 (E_RNA)
where:
Base-Base interactions energy: -47.515
where: short stacking energy: -37.778
Base-Backbone interact. energy: -1.313
local terms energy: -82.311667
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -147.099861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.099861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.099861 (E_RNA)
where:
Base-Base interactions energy: -71.780
where: short stacking energy: -31.101
Base-Backbone interact. energy: -1.281
local terms energy: -74.039533
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -113.614067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.614067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.614067 (E_RNA)
where:
Base-Base interactions energy: -39.166
where: short stacking energy: -38.350
Base-Backbone interact. energy: 1.288
local terms energy: -75.735411
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -381.513606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.513606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.513606 (E_RNA)
where:
Base-Base interactions energy: -252.938
where: short stacking energy: -113.199
Base-Backbone interact. energy: -0.180
local terms energy: -128.395604
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -34.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -359.729847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.729847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.729847 (E_RNA)
where:
Base-Base interactions energy: -224.975
where: short stacking energy: -114.425
Base-Backbone interact. energy: -0.013
local terms energy: -134.741797
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -28.723
flat angles P-C4'-P energy: -20.796
tors. eta vs tors. theta energy: -40.355
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: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -337.792560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.792560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.792560 (E_RNA)
where:
Base-Base interactions energy: -219.180
where: short stacking energy: -99.208
Base-Backbone interact. energy: 0.674
local terms energy: -119.286223
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -19.047
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: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -277.268752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.268752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.268752 (E_RNA)
where:
Base-Base interactions energy: -184.698
where: short stacking energy: -85.173
Base-Backbone interact. energy: -0.880
local terms energy: -91.691351
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -11.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -296.590962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.590962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.590962 (E_RNA)
where:
Base-Base interactions energy: -189.382
where: short stacking energy: -86.933
Base-Backbone interact. energy: 0.297
local terms energy: -107.506136
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -24.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -275.497376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.497376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.497376 (E_RNA)
where:
Base-Base interactions energy: -175.249
where: short stacking energy: -91.745
Base-Backbone interact. energy: -0.291
local terms energy: -99.957464
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -280.910503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.910503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.910503 (E_RNA)
where:
Base-Base interactions energy: -181.383
where: short stacking energy: -78.943
Base-Backbone interact. energy: -0.074
local terms energy: -99.453503
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -133.671805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.671805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.671805 (E_RNA)
where:
Base-Base interactions energy: -58.016
where: short stacking energy: -54.460
Base-Backbone interact. energy: -0.922
local terms energy: -74.733626
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -131.479785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.479785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.479785 (E_RNA)
where:
Base-Base interactions energy: -60.475
where: short stacking energy: -34.455
Base-Backbone interact. energy: -0.424
local terms energy: -70.581100
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -1.021
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: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -105.799644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.799644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.799644 (E_RNA)
where:
Base-Base interactions energy: -39.153
where: short stacking energy: -29.027
Base-Backbone interact. energy: -0.437
local terms energy: -66.210099
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: 7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -370.071599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.071599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.071599 (E_RNA)
where:
Base-Base interactions energy: -256.317
where: short stacking energy: -114.066
Base-Backbone interact. energy: -0.186
local terms energy: -113.568855
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -31.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -365.881604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.881604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.881604 (E_RNA)
where:
Base-Base interactions energy: -239.390
where: short stacking energy: -112.220
Base-Backbone interact. energy: -0.240
local terms energy: -126.251480
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -30.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -358.103101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.103101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.103101 (E_RNA)
where:
Base-Base interactions energy: -233.739
where: short stacking energy: -120.471
Base-Backbone interact. energy: -0.026
local terms energy: -124.338072
where:
bonds (distance) C4'-P energy: -25.880
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -34.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -282.176632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.176632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.176632 (E_RNA)
where:
Base-Base interactions energy: -167.446
where: short stacking energy: -87.533
Base-Backbone interact. energy: -0.480
local terms energy: -114.250756
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -27.319
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -14.160
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: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -284.167579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.167579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.167579 (E_RNA)
where:
Base-Base interactions energy: -180.117
where: short stacking energy: -87.129
Base-Backbone interact. energy: -0.014
local terms energy: -104.037168
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -22.803
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -21.256
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: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -271.005254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.005254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.005254 (E_RNA)
where:
Base-Base interactions energy: -164.790
where: short stacking energy: -82.081
Base-Backbone interact. energy: -0.252
local terms energy: -105.963778
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -25.998
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -264.901195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.901195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.901195 (E_RNA)
where:
Base-Base interactions energy: -164.314
where: short stacking energy: -76.323
Base-Backbone interact. energy: -0.228
local terms energy: -100.359620
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -15.413
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: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -130.359259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.359259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.359259 (E_RNA)
where:
Base-Base interactions energy: -61.096
where: short stacking energy: -44.258
Base-Backbone interact. energy: 0.952
local terms energy: -70.214824
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -113.830685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.830685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.830685 (E_RNA)
where:
Base-Base interactions energy: -40.972
where: short stacking energy: -28.517
Base-Backbone interact. energy: -0.176
local terms energy: -72.683045
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -124.248187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.248187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.248187 (E_RNA)
where:
Base-Base interactions energy: -44.166
where: short stacking energy: -37.724
Base-Backbone interact. energy: 1.129
local terms energy: -81.211373
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -26.209
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: 1.908
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: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -366.472927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.472927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.472927 (E_RNA)
where:
Base-Base interactions energy: -241.171
where: short stacking energy: -107.120
Base-Backbone interact. energy: -0.621
local terms energy: -124.681486
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -32.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -359.581166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.581166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.581166 (E_RNA)
where:
Base-Base interactions energy: -247.699
where: short stacking energy: -97.742
Base-Backbone interact. energy: -0.397
local terms energy: -111.484675
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -31.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -345.449398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.449398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.449398 (E_RNA)
where:
Base-Base interactions energy: -228.868
where: short stacking energy: -106.620
Base-Backbone interact. energy: -0.021
local terms energy: -116.560706
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -35.835
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: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -285.984982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.984982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.984982 (E_RNA)
where:
Base-Base interactions energy: -180.922
where: short stacking energy: -87.051
Base-Backbone interact. energy: -0.717
local terms energy: -104.345811
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -12.988
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: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -285.174900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.174900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.174900 (E_RNA)
where:
Base-Base interactions energy: -183.861
where: short stacking energy: -78.083
Base-Backbone interact. energy: -1.411
local terms energy: -99.902732
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -13.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -283.702215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.702215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.702215 (E_RNA)
where:
Base-Base interactions energy: -195.751
where: short stacking energy: -80.786
Base-Backbone interact. energy: 0.545
local terms energy: -88.496355
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -255.842201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.842201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.842201 (E_RNA)
where:
Base-Base interactions energy: -160.579
where: short stacking energy: -60.269
Base-Backbone interact. energy: -0.366
local terms energy: -94.897536
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -10.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -137.494997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.494997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.494997 (E_RNA)
where:
Base-Base interactions energy: -62.722
where: short stacking energy: -46.998
Base-Backbone interact. energy: 0.826
local terms energy: -75.598558
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -140.377546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.377546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.377546 (E_RNA)
where:
Base-Base interactions energy: -53.895
where: short stacking energy: -40.167
Base-Backbone interact. energy: -0.510
local terms energy: -85.972533
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -10.163
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: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -115.554860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.554860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.554860 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -30.057
Base-Backbone interact. energy: -0.161
local terms energy: -85.337045
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -377.557867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.557867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.557867 (E_RNA)
where:
Base-Base interactions energy: -258.673
where: short stacking energy: -113.573
Base-Backbone interact. energy: -1.185
local terms energy: -117.700068
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -17.970
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: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -366.100429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.100429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.100429 (E_RNA)
where:
Base-Base interactions energy: -229.298
where: short stacking energy: -111.329
Base-Backbone interact. energy: -0.836
local terms energy: -135.965999
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -30.044
flat angles P-C4'-P energy: -23.288
tors. eta vs tors. theta energy: -37.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -349.686997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.686997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.686997 (E_RNA)
where:
Base-Base interactions energy: -235.074
where: short stacking energy: -84.750
Base-Backbone interact. energy: -0.160
local terms energy: -114.453230
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -24.160
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -26.308
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: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -305.683683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.683683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.683683 (E_RNA)
where:
Base-Base interactions energy: -189.903
where: short stacking energy: -94.906
Base-Backbone interact. energy: -0.052
local terms energy: -115.729378
where:
bonds (distance) C4'-P energy: -28.147
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -14.936
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: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -267.844504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.844504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.844504 (E_RNA)
where:
Base-Base interactions energy: -156.985
where: short stacking energy: -75.224
Base-Backbone interact. energy: -0.201
local terms energy: -110.658853
where:
bonds (distance) C4'-P energy: -25.196
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -26.550
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -287.187438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.187438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.187438 (E_RNA)
where:
Base-Base interactions energy: -201.374
where: short stacking energy: -77.919
Base-Backbone interact. energy: 0.264
local terms energy: -86.078203
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -271.741799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.741799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.741799 (E_RNA)
where:
Base-Base interactions energy: -176.529
where: short stacking energy: -71.275
Base-Backbone interact. energy: -0.131
local terms energy: -95.081596
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -144.213341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.213341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.213341 (E_RNA)
where:
Base-Base interactions energy: -63.820
where: short stacking energy: -42.954
Base-Backbone interact. energy: 0.980
local terms energy: -81.373704
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -3.177
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: 77
Temperature: 1.300000
Total energy: -127.676933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.676933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.676933 (E_RNA)
where:
Base-Base interactions energy: -36.020
where: short stacking energy: -35.121
Base-Backbone interact. energy: 0.219
local terms energy: -91.876081
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -25.166
flat angles P-C4'-P energy: -18.751
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -112.410426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.410426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.410426 (E_RNA)
where:
Base-Base interactions energy: -32.983
where: short stacking energy: -28.709
Base-Backbone interact. energy: -1.222
local terms energy: -78.205063
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -18.465
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: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -386.221299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.221299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.221299 (E_RNA)
where:
Base-Base interactions energy: -257.636
where: short stacking energy: -107.343
Base-Backbone interact. energy: -0.500
local terms energy: -128.084586
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -25.783
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -30.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -369.626217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.626217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.626217 (E_RNA)
where:
Base-Base interactions energy: -249.923
where: short stacking energy: -118.518
Base-Backbone interact. energy: -0.182
local terms energy: -119.521333
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -34.324
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: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -325.445792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.445792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.445792 (E_RNA)
where:
Base-Base interactions energy: -203.802
where: short stacking energy: -92.303
Base-Backbone interact. energy: -0.158
local terms energy: -121.485808
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -30.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -352.844756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.844756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.844756 (E_RNA)
where:
Base-Base interactions energy: -230.529
where: short stacking energy: -102.536
Base-Backbone interact. energy: -0.249
local terms energy: -122.066556
where:
bonds (distance) C4'-P energy: -21.545
bonds (distance) P-C4' energy: -25.562
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -32.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -276.264398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.264398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.264398 (E_RNA)
where:
Base-Base interactions energy: -174.329
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.864
local terms energy: -101.072000
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -274.643074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.643074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.643074 (E_RNA)
where:
Base-Base interactions energy: -169.747
where: short stacking energy: -84.068
Base-Backbone interact. energy: -0.049
local terms energy: -104.847533
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -24.957
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -15.215
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: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -258.886835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.886835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.886835 (E_RNA)
where:
Base-Base interactions energy: -173.636
where: short stacking energy: -78.981
Base-Backbone interact. energy: -0.789
local terms energy: -84.462593
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -8.491
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: 8, replica: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -136.244456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.244456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.244456 (E_RNA)
where:
Base-Base interactions energy: -65.062
where: short stacking energy: -25.829
Base-Backbone interact. energy: -0.735
local terms energy: -70.447985
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: 3.574
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: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -127.576388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.576388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.576388 (E_RNA)
where:
Base-Base interactions energy: -59.457
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.877
local terms energy: -67.242320
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -102.133945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.133945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.133945 (E_RNA)
where:
Base-Base interactions energy: -35.158
where: short stacking energy: -33.749
Base-Backbone interact. energy: -0.175
local terms energy: -66.800312
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: 1.094
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: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -371.872129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.872129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.872129 (E_RNA)
where:
Base-Base interactions energy: -253.327
where: short stacking energy: -109.799
Base-Backbone interact. energy: -0.140
local terms energy: -118.404954
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -29.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -363.797163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.797163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.797163 (E_RNA)
where:
Base-Base interactions energy: -236.658
where: short stacking energy: -107.239
Base-Backbone interact. energy: -0.151
local terms energy: -126.988181
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -28.394
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -34.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -328.264881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.264881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.264881 (E_RNA)
where:
Base-Base interactions energy: -204.836
where: short stacking energy: -100.885
Base-Backbone interact. energy: 0.611
local terms energy: -124.040613
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -30.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -347.270301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.270301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.270301 (E_RNA)
where:
Base-Base interactions energy: -230.322
where: short stacking energy: -89.964
Base-Backbone interact. energy: -0.063
local terms energy: -116.884961
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -29.025
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: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -316.463425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.463425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.463425 (E_RNA)
where:
Base-Base interactions energy: -216.604
where: short stacking energy: -94.501
Base-Backbone interact. energy: -0.193
local terms energy: -99.666117
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -23.711
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: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -284.421072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.421072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.421072 (E_RNA)
where:
Base-Base interactions energy: -179.688
where: short stacking energy: -78.102
Base-Backbone interact. energy: -0.071
local terms energy: -104.662367
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -245.962817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.962817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.962817 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -74.118
Base-Backbone interact. energy: 1.193
local terms energy: -100.502481
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -127.845484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.845484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.845484 (E_RNA)
where:
Base-Base interactions energy: -49.986
where: short stacking energy: -46.562
Base-Backbone interact. energy: 0.315
local terms energy: -78.173796
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -10.036
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: 9, replica: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -119.978762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.978762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.978762 (E_RNA)
where:
Base-Base interactions energy: -43.306
where: short stacking energy: -39.907
Base-Backbone interact. energy: 0.265
local terms energy: -76.937224
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -8.892
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: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -116.317678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.317678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.317678 (E_RNA)
where:
Base-Base interactions energy: -45.527
where: short stacking energy: -33.958
Base-Backbone interact. energy: 1.336
local terms energy: -72.126307
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -366.583366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.583366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.583366 (E_RNA)
where:
Base-Base interactions energy: -239.659
where: short stacking energy: -107.638
Base-Backbone interact. energy: -0.126
local terms energy: -126.797966
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -28.833
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: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -357.668180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.668180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.668180 (E_RNA)
where:
Base-Base interactions energy: -228.095
where: short stacking energy: -110.162
Base-Backbone interact. energy: -1.039
local terms energy: -128.534258
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -27.854
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -33.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -354.315366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.315366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.315366 (E_RNA)
where:
Base-Base interactions energy: -236.164
where: short stacking energy: -95.224
Base-Backbone interact. energy: -0.020
local terms energy: -118.131454
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -28.744
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -28.256
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: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -311.025330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.025330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.025330 (E_RNA)
where:
Base-Base interactions energy: -190.147
where: short stacking energy: -99.479
Base-Backbone interact. energy: -0.504
local terms energy: -120.374322
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -25.671
flat angles C4'-P-C4' energy: -24.293
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -284.660126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.660126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.660126 (E_RNA)
where:
Base-Base interactions energy: -180.108
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.287
local terms energy: -104.265279
where:
bonds (distance) C4'-P energy: -23.937
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -20.655
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: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -270.059909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.059909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.059909 (E_RNA)
where:
Base-Base interactions energy: -173.073
where: short stacking energy: -82.778
Base-Backbone interact. energy: -0.339
local terms energy: -96.648399
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -23.626
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: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -259.754223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.754223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.754223 (E_RNA)
where:
Base-Base interactions energy: -160.741
where: short stacking energy: -79.156
Base-Backbone interact. energy: -0.239
local terms energy: -98.774632
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -17.460
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: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -155.682597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.682597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.682597 (E_RNA)
where:
Base-Base interactions energy: -74.246
where: short stacking energy: -50.910
Base-Backbone interact. energy: -3.229
local terms energy: -78.207385
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -26.195
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -123.856910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.856910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.856910 (E_RNA)
where:
Base-Base interactions energy: -43.833
where: short stacking energy: -41.267
Base-Backbone interact. energy: -0.062
local terms energy: -79.962291
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -0.603
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: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -119.589424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.589424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.589424 (E_RNA)
where:
Base-Base interactions energy: -57.861
where: short stacking energy: -32.368
Base-Backbone interact. energy: 1.724
local terms energy: -63.452176
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: 5.709
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: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -386.725433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.725433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.725433 (E_RNA)
where:
Base-Base interactions energy: -259.425
where: short stacking energy: -120.865
Base-Backbone interact. energy: -0.514
local terms energy: -126.786093
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -27.814
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -35.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -369.512773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.512773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.512773 (E_RNA)
where:
Base-Base interactions energy: -233.211
where: short stacking energy: -120.540
Base-Backbone interact. energy: -0.720
local terms energy: -135.581905
where:
bonds (distance) C4'-P energy: -27.198
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -28.271
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -36.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -341.795930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.795930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.795930 (E_RNA)
where:
Base-Base interactions energy: -228.407
where: short stacking energy: -109.073
Base-Backbone interact. energy: 0.652
local terms energy: -114.041228
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -18.193
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: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -307.126453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.126453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.126453 (E_RNA)
where:
Base-Base interactions energy: -194.893
where: short stacking energy: -94.232
Base-Backbone interact. energy: -0.162
local terms energy: -112.071328
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -22.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -283.022705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.022705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.022705 (E_RNA)
where:
Base-Base interactions energy: -172.256
where: short stacking energy: -80.079
Base-Backbone interact. energy: -0.178
local terms energy: -110.589334
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -26.730
flat angles C4'-P-C4' energy: -27.666
flat angles P-C4'-P energy: -16.091
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: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -274.620327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.620327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.620327 (E_RNA)
where:
Base-Base interactions energy: -172.325
where: short stacking energy: -73.751
Base-Backbone interact. energy: 0.127
local terms energy: -102.421953
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -27.335
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -12.676
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: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -263.862845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.862845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.862845 (E_RNA)
where:
Base-Base interactions energy: -161.446
where: short stacking energy: -74.236
Base-Backbone interact. energy: 1.075
local terms energy: -103.491647
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -129.805020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.805020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.805020 (E_RNA)
where:
Base-Base interactions energy: -42.799
where: short stacking energy: -38.083
Base-Backbone interact. energy: -0.252
local terms energy: -86.754535
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -23.925
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -126.841896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.841896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.841896 (E_RNA)
where:
Base-Base interactions energy: -45.730
where: short stacking energy: -40.194
Base-Backbone interact. energy: 0.028
local terms energy: -81.139910
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -10.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -113.915974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.915974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.915974 (E_RNA)
where:
Base-Base interactions energy: -44.728
where: short stacking energy: -32.720
Base-Backbone interact. energy: -0.367
local terms energy: -68.820964
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -3.175
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -380.355796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.355796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.355796 (E_RNA)
where:
Base-Base interactions energy: -247.735
where: short stacking energy: -105.413
Base-Backbone interact. energy: -1.033
local terms energy: -131.588121
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -27.800
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -35.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -364.671889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.671889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.671889 (E_RNA)
where:
Base-Base interactions energy: -236.892
where: short stacking energy: -119.568
Base-Backbone interact. energy: -0.025
local terms energy: -127.754590
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -38.075
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: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -348.783732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.783732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.783732 (E_RNA)
where:
Base-Base interactions energy: -229.767
where: short stacking energy: -93.790
Base-Backbone interact. energy: -0.158
local terms energy: -118.857985
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -25.121
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -14.610
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: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -298.326059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.326059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.326059 (E_RNA)
where:
Base-Base interactions energy: -190.728
where: short stacking energy: -97.007
Base-Backbone interact. energy: -0.198
local terms energy: -107.400436
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -23.858
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: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -290.627354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.627354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.627354 (E_RNA)
where:
Base-Base interactions energy: -185.569
where: short stacking energy: -83.280
Base-Backbone interact. energy: -0.177
local terms energy: -104.881300
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -27.201
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -13.163
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: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -282.962916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.962916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.962916 (E_RNA)
where:
Base-Base interactions energy: -183.159
where: short stacking energy: -77.787
Base-Backbone interact. energy: -0.063
local terms energy: -99.740818
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -25.601
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -267.864956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.864956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.864956 (E_RNA)
where:
Base-Base interactions energy: -169.074
where: short stacking energy: -75.276
Base-Backbone interact. energy: 0.148
local terms energy: -98.939127
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -24.711
flat angles P-C4'-P energy: -4.131
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: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -136.260713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.260713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.260713 (E_RNA)
where:
Base-Base interactions energy: -66.360
where: short stacking energy: -41.490
Base-Backbone interact. energy: -0.299
local terms energy: -69.601827
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -121.992339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.992339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.992339 (E_RNA)
where:
Base-Base interactions energy: -50.797
where: short stacking energy: -41.873
Base-Backbone interact. energy: -0.373
local terms energy: -70.821599
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -2.192
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: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -111.176566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.176566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.176566 (E_RNA)
where:
Base-Base interactions energy: -45.764
where: short stacking energy: -43.907
Base-Backbone interact. energy: 2.109
local terms energy: -67.521396
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -371.161197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.161197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.161197 (E_RNA)
where:
Base-Base interactions energy: -245.746
where: short stacking energy: -98.849
Base-Backbone interact. energy: -0.300
local terms energy: -125.114624
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -26.721
flat angles P-C4'-P energy: -20.616
tors. eta vs tors. theta energy: -29.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -355.625273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.625273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.625273 (E_RNA)
where:
Base-Base interactions energy: -238.679
where: short stacking energy: -107.724
Base-Backbone interact. energy: -0.349
local terms energy: -116.597067
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -32.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -343.900161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.900161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.900161 (E_RNA)
where:
Base-Base interactions energy: -218.431
where: short stacking energy: -101.993
Base-Backbone interact. energy: -0.288
local terms energy: -125.181210
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -30.697
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -33.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -313.769061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.769061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.769061 (E_RNA)
where:
Base-Base interactions energy: -194.531
where: short stacking energy: -80.367
Base-Backbone interact. energy: -0.653
local terms energy: -118.584750
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -27.342
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -20.221
tors. eta vs tors. theta energy: -23.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -282.361563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.361563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.361563 (E_RNA)
where:
Base-Base interactions energy: -170.734
where: short stacking energy: -87.426
Base-Backbone interact. energy: -0.689
local terms energy: -110.939182
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -20.459
tors. eta vs tors. theta energy: -27.507
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: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -299.329370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.329370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.329370 (E_RNA)
where:
Base-Base interactions energy: -189.608
where: short stacking energy: -87.696
Base-Backbone interact. energy: -0.577
local terms energy: -109.144717
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -19.966
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -250.689634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.689634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.689634 (E_RNA)
where:
Base-Base interactions energy: -156.272
where: short stacking energy: -62.426
Base-Backbone interact. energy: 0.328
local terms energy: -94.745535
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -24.007
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -150.877029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.877029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.877029 (E_RNA)
where:
Base-Base interactions energy: -68.315
where: short stacking energy: -48.544
Base-Backbone interact. energy: -0.071
local terms energy: -82.491169
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -138.431622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.431622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.431622 (E_RNA)
where:
Base-Base interactions energy: -47.922
where: short stacking energy: -40.898
Base-Backbone interact. energy: -0.732
local terms energy: -89.777644
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -115.156794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.156794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.156794 (E_RNA)
where:
Base-Base interactions energy: -42.422
where: short stacking energy: -31.419
Base-Backbone interact. energy: -0.528
local terms energy: -72.206015
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: 0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -348.713331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.713331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.713331 (E_RNA)
where:
Base-Base interactions energy: -229.672
where: short stacking energy: -100.122
Base-Backbone interact. energy: -0.408
local terms energy: -118.633480
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -28.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -366.678586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.678586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.678586 (E_RNA)
where:
Base-Base interactions energy: -245.833
where: short stacking energy: -106.519
Base-Backbone interact. energy: 0.905
local terms energy: -121.750271
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -28.084
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: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -353.936579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.936579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.936579 (E_RNA)
where:
Base-Base interactions energy: -228.173
where: short stacking energy: -106.342
Base-Backbone interact. energy: 0.328
local terms energy: -126.091429
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -33.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -297.160180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.160180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.160180 (E_RNA)
where:
Base-Base interactions energy: -181.829
where: short stacking energy: -97.406
Base-Backbone interact. energy: -0.583
local terms energy: -114.747577
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -14.938
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: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -275.899502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.899502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.899502 (E_RNA)
where:
Base-Base interactions energy: -180.943
where: short stacking energy: -73.306
Base-Backbone interact. energy: -0.278
local terms energy: -94.678201
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -19.327
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: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -276.824895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.824895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.824895 (E_RNA)
where:
Base-Base interactions energy: -186.824
where: short stacking energy: -83.663
Base-Backbone interact. energy: -0.404
local terms energy: -89.596690
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -274.236264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.236264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.236264 (E_RNA)
where:
Base-Base interactions energy: -173.500
where: short stacking energy: -78.826
Base-Backbone interact. energy: -0.449
local terms energy: -100.287133
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -131.406881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.406881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.406881 (E_RNA)
where:
Base-Base interactions energy: -52.233
where: short stacking energy: -45.208
Base-Backbone interact. energy: 0.287
local terms energy: -79.461240
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -117.448018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.448018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.448018 (E_RNA)
where:
Base-Base interactions energy: -40.921
where: short stacking energy: -23.024
Base-Backbone interact. energy: -2.746
local terms energy: -73.781167
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: 4.175
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: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -110.196991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.196991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.196991 (E_RNA)
where:
Base-Base interactions energy: -41.253
where: short stacking energy: -37.148
Base-Backbone interact. energy: 1.028
local terms energy: -69.971757
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -355.193908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.193908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.193908 (E_RNA)
where:
Base-Base interactions energy: -245.683
where: short stacking energy: -98.608
Base-Backbone interact. energy: 4.741
local terms energy: -114.251046
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -24.875
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -32.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -356.561419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.561419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.561419 (E_RNA)
where:
Base-Base interactions energy: -230.584
where: short stacking energy: -105.904
Base-Backbone interact. energy: -0.293
local terms energy: -125.684588
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -32.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -378.209068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.209068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.209068 (E_RNA)
where:
Base-Base interactions energy: -255.986
where: short stacking energy: -110.005
Base-Backbone interact. energy: -1.394
local terms energy: -120.828592
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -27.542
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -31.561
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: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -282.505644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.505644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.505644 (E_RNA)
where:
Base-Base interactions energy: -172.840
where: short stacking energy: -83.938
Base-Backbone interact. energy: -0.187
local terms energy: -109.477864
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -277.345992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.345992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.345992 (E_RNA)
where:
Base-Base interactions energy: -181.661
where: short stacking energy: -78.045
Base-Backbone interact. energy: -1.117
local terms energy: -94.567411
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -13.975
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: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -296.699893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.699893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.699893 (E_RNA)
where:
Base-Base interactions energy: -183.272
where: short stacking energy: -80.499
Base-Backbone interact. energy: -0.238
local terms energy: -113.190025
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -275.309452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.309452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.309452 (E_RNA)
where:
Base-Base interactions energy: -176.122
where: short stacking energy: -78.830
Base-Backbone interact. energy: -0.320
local terms energy: -98.867878
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -26.033
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -138.083103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.083103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.083103 (E_RNA)
where:
Base-Base interactions energy: -55.390
where: short stacking energy: -55.390
Base-Backbone interact. energy: -0.482
local terms energy: -82.210778
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -114.508835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.508835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.508835 (E_RNA)
where:
Base-Base interactions energy: -55.529
where: short stacking energy: -41.355
Base-Backbone interact. energy: 2.392
local terms energy: -61.372198
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: 3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -119.604787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.604787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.604787 (E_RNA)
where:
Base-Base interactions energy: -39.074
where: short stacking energy: -38.861
Base-Backbone interact. energy: -0.654
local terms energy: -79.877184
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -24.819
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -363.969638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.969638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.969638 (E_RNA)
where:
Base-Base interactions energy: -240.261
where: short stacking energy: -100.807
Base-Backbone interact. energy: -2.139
local terms energy: -121.569311
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -27.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -360.356556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.356556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.356556 (E_RNA)
where:
Base-Base interactions energy: -233.411
where: short stacking energy: -113.496
Base-Backbone interact. energy: -0.008
local terms energy: -126.937764
where:
bonds (distance) C4'-P energy: -21.396
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -36.149
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: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -305.502451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.502451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.502451 (E_RNA)
where:
Base-Base interactions energy: -194.485
where: short stacking energy: -92.244
Base-Backbone interact. energy: -0.873
local terms energy: -110.144474
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -16.086
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: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -340.281171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.281171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.281171 (E_RNA)
where:
Base-Base interactions energy: -232.386
where: short stacking energy: -96.456
Base-Backbone interact. energy: -1.075
local terms energy: -106.819498
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -33.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -279.641686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.641686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.641686 (E_RNA)
where:
Base-Base interactions energy: -175.436
where: short stacking energy: -76.515
Base-Backbone interact. energy: 0.550
local terms energy: -104.755010
where:
bonds (distance) C4'-P energy: -26.628
bonds (distance) P-C4' energy: -26.354
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -266.911631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.911631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.911631 (E_RNA)
where:
Base-Base interactions energy: -169.226
where: short stacking energy: -73.543
Base-Backbone interact. energy: -0.691
local terms energy: -96.994813
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -262.904163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.904163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.904163 (E_RNA)
where:
Base-Base interactions energy: -163.897
where: short stacking energy: -79.131
Base-Backbone interact. energy: -0.126
local terms energy: -98.881111
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -16.809
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: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -136.534112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.534112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.534112 (E_RNA)
where:
Base-Base interactions energy: -65.279
where: short stacking energy: -32.048
Base-Backbone interact. energy: -1.189
local terms energy: -70.065967
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: 1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -112.154308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.154308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.154308 (E_RNA)
where:
Base-Base interactions energy: -40.014
where: short stacking energy: -40.014
Base-Backbone interact. energy: -0.526
local terms energy: -71.614200
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -116.037728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.037728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.037728 (E_RNA)
where:
Base-Base interactions energy: -41.868
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.246
local terms energy: -73.923512
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -24.351
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: 2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -340.117718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.117718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.117718 (E_RNA)
where:
Base-Base interactions energy: -220.144
where: short stacking energy: -95.026
Base-Backbone interact. energy: 0.475
local terms energy: -120.449571
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -26.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -360.525630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.525630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.525630 (E_RNA)
where:
Base-Base interactions energy: -230.256
where: short stacking energy: -122.836
Base-Backbone interact. energy: -0.026
local terms energy: -130.242997
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -37.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -306.095134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.095134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.095134 (E_RNA)
where:
Base-Base interactions energy: -199.996
where: short stacking energy: -88.844
Base-Backbone interact. energy: -0.337
local terms energy: -105.761529
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -17.774
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: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -329.808185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.808185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.808185 (E_RNA)
where:
Base-Base interactions energy: -215.321
where: short stacking energy: -95.045
Base-Backbone interact. energy: -0.202
local terms energy: -114.285466
where:
bonds (distance) C4'-P energy: -21.496
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -27.303
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -26.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -297.711914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.711914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.711914 (E_RNA)
where:
Base-Base interactions energy: -190.059
where: short stacking energy: -77.996
Base-Backbone interact. energy: -0.145
local terms energy: -107.508712
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -25.405
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -280.641107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.641107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.641107 (E_RNA)
where:
Base-Base interactions energy: -181.359
where: short stacking energy: -89.439
Base-Backbone interact. energy: 0.348
local terms energy: -99.629677
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -27.691
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: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -263.577596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.577596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.577596 (E_RNA)
where:
Base-Base interactions energy: -156.233
where: short stacking energy: -67.127
Base-Backbone interact. energy: -0.478
local terms energy: -106.867229
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -134.181017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.181017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.181017 (E_RNA)
where:
Base-Base interactions energy: -41.789
where: short stacking energy: -38.954
Base-Backbone interact. energy: 0.052
local terms energy: -92.443284
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -132.400483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.400483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.400483 (E_RNA)
where:
Base-Base interactions energy: -56.090
where: short stacking energy: -34.076
Base-Backbone interact. energy: -0.400
local terms energy: -75.910929
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: 3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -120.682177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.682177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.682177 (E_RNA)
where:
Base-Base interactions energy: -44.075
where: short stacking energy: -21.743
Base-Backbone interact. energy: -0.499
local terms energy: -76.108483
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -366.423545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.423545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.423545 (E_RNA)
where:
Base-Base interactions energy: -240.945
where: short stacking energy: -103.588
Base-Backbone interact. energy: 0.684
local terms energy: -126.163061
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -27.584
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -32.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -347.603040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.603040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.603040 (E_RNA)
where:
Base-Base interactions energy: -221.824
where: short stacking energy: -97.852
Base-Backbone interact. energy: -1.722
local terms energy: -124.056985
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -29.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -346.609775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.609775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.609775 (E_RNA)
where:
Base-Base interactions energy: -227.008
where: short stacking energy: -107.156
Base-Backbone interact. energy: -0.119
local terms energy: -119.482439
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -29.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -317.590798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.590798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.590798 (E_RNA)
where:
Base-Base interactions energy: -205.930
where: short stacking energy: -92.859
Base-Backbone interact. energy: -1.399
local terms energy: -110.262116
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -26.369
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -25.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -276.856656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.856656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.856656 (E_RNA)
where:
Base-Base interactions energy: -160.045
where: short stacking energy: -83.997
Base-Backbone interact. energy: -0.062
local terms energy: -116.749797
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -292.277124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.277124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.277124 (E_RNA)
where:
Base-Base interactions energy: -176.369
where: short stacking energy: -80.807
Base-Backbone interact. energy: -0.204
local terms energy: -115.704003
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -27.231
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: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -260.884105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.884105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.884105 (E_RNA)
where:
Base-Base interactions energy: -160.523
where: short stacking energy: -76.783
Base-Backbone interact. energy: -0.920
local terms energy: -99.442069
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -18.436
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: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -121.871711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.871711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.871711 (E_RNA)
where:
Base-Base interactions energy: -42.628
where: short stacking energy: -42.587
Base-Backbone interact. energy: 0.784
local terms energy: -80.027230
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -117.748881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.748881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.748881 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.470
local terms energy: -79.651185
where:
bonds (distance) C4'-P energy: -27.671
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: 0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -137.019846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.019846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.019846 (E_RNA)
where:
Base-Base interactions energy: -57.676
where: short stacking energy: -57.039
Base-Backbone interact. energy: -0.470
local terms energy: -78.873919
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -385.353998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.353998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.353998 (E_RNA)
where:
Base-Base interactions energy: -256.355
where: short stacking energy: -116.235
Base-Backbone interact. energy: -0.173
local terms energy: -128.826239
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -26.509
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -35.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -366.122843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.122843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.122843 (E_RNA)
where:
Base-Base interactions energy: -243.369
where: short stacking energy: -112.529
Base-Backbone interact. energy: -0.164
local terms energy: -122.589807
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -31.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -344.157880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.157880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.157880 (E_RNA)
where:
Base-Base interactions energy: -222.952
where: short stacking energy: -98.839
Base-Backbone interact. energy: 0.100
local terms energy: -121.305916
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -26.917
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -30.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -285.743662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.743662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.743662 (E_RNA)
where:
Base-Base interactions energy: -184.019
where: short stacking energy: -83.125
Base-Backbone interact. energy: -0.308
local terms energy: -101.416630
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -23.563
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -18.353
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: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -293.350508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.350508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.350508 (E_RNA)
where:
Base-Base interactions energy: -189.202
where: short stacking energy: -95.904
Base-Backbone interact. energy: -0.049
local terms energy: -104.098928
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -22.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -268.961799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.961799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.961799 (E_RNA)
where:
Base-Base interactions energy: -162.006
where: short stacking energy: -76.508
Base-Backbone interact. energy: -0.146
local terms energy: -106.810388
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -261.939115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.939115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.939115 (E_RNA)
where:
Base-Base interactions energy: -164.269
where: short stacking energy: -63.276
Base-Backbone interact. energy: -0.288
local terms energy: -97.382217
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -16.699
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: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -122.422632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.422632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.422632 (E_RNA)
where:
Base-Base interactions energy: -51.514
where: short stacking energy: -48.197
Base-Backbone interact. energy: -1.993
local terms energy: -68.916090
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -120.093993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.093993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.093993 (E_RNA)
where:
Base-Base interactions energy: -40.450
where: short stacking energy: -40.039
Base-Backbone interact. energy: 0.105
local terms energy: -79.748987
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -109.994132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.994132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.994132 (E_RNA)
where:
Base-Base interactions energy: -37.710
where: short stacking energy: -31.168
Base-Backbone interact. energy: 2.788
local terms energy: -75.072334
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -9.649
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: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -382.750754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.750754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.750754 (E_RNA)
where:
Base-Base interactions energy: -252.961
where: short stacking energy: -108.767
Base-Backbone interact. energy: -0.022
local terms energy: -129.768159
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -34.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -361.074154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.074154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.074154 (E_RNA)
where:
Base-Base interactions energy: -237.368
where: short stacking energy: -101.506
Base-Backbone interact. energy: -0.214
local terms energy: -123.492683
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -26.161
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -28.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -349.901023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.901023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.901023 (E_RNA)
where:
Base-Base interactions energy: -238.333
where: short stacking energy: -104.675
Base-Backbone interact. energy: -0.733
local terms energy: -110.834939
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -17.452
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: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -293.261233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.261233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.261233 (E_RNA)
where:
Base-Base interactions energy: -187.765
where: short stacking energy: -82.405
Base-Backbone interact. energy: -0.193
local terms energy: -105.303303
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -19.410
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: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -292.308265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.308265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.308265 (E_RNA)
where:
Base-Base interactions energy: -191.046
where: short stacking energy: -88.334
Base-Backbone interact. energy: -0.141
local terms energy: -101.120443
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -19.239
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -271.928776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.928776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.928776 (E_RNA)
where:
Base-Base interactions energy: -170.157
where: short stacking energy: -71.307
Base-Backbone interact. energy: -1.631
local terms energy: -100.140545
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -242.734295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.734295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.734295 (E_RNA)
where:
Base-Base interactions energy: -150.542
where: short stacking energy: -78.540
Base-Backbone interact. energy: 0.766
local terms energy: -92.958512
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -17.604
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: 90
Temperature: 1.250000
Total energy: -138.244124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.244124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.244124 (E_RNA)
where:
Base-Base interactions energy: -52.694
where: short stacking energy: -50.317
Base-Backbone interact. energy: -0.359
local terms energy: -85.190907
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -114.977249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.977249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.977249 (E_RNA)
where:
Base-Base interactions energy: -37.944
where: short stacking energy: -31.862
Base-Backbone interact. energy: 1.651
local terms energy: -78.684571
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: 1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -121.420447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.420447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.420447 (E_RNA)
where:
Base-Base interactions energy: -51.549
where: short stacking energy: -43.551
Base-Backbone interact. energy: 0.356
local terms energy: -70.227510
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: 1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -390.970335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.970335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.970335 (E_RNA)
where:
Base-Base interactions energy: -255.222
where: short stacking energy: -109.784
Base-Backbone interact. energy: -0.042
local terms energy: -135.706548
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -22.818
tors. eta vs tors. theta energy: -34.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -368.430653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.430653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.430653 (E_RNA)
where:
Base-Base interactions energy: -246.611
where: short stacking energy: -105.765
Base-Backbone interact. energy: -0.268
local terms energy: -121.551327
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -28.029
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: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -354.957119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.957119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.957119 (E_RNA)
where:
Base-Base interactions energy: -232.709
where: short stacking energy: -100.463
Base-Backbone interact. energy: -0.613
local terms energy: -121.635613
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -25.492
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: -31.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -290.895297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.895297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.895297 (E_RNA)
where:
Base-Base interactions energy: -185.017
where: short stacking energy: -66.710
Base-Backbone interact. energy: -1.088
local terms energy: -104.790249
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -287.275336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.275336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.275336 (E_RNA)
where:
Base-Base interactions energy: -166.503
where: short stacking energy: -71.887
Base-Backbone interact. energy: -0.445
local terms energy: -120.327802
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -17.441
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: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -288.618519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.618519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.618519 (E_RNA)
where:
Base-Base interactions energy: -178.660
where: short stacking energy: -88.605
Base-Backbone interact. energy: -0.129
local terms energy: -109.830032
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -24.775
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: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -277.302396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.302396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.302396 (E_RNA)
where:
Base-Base interactions energy: -175.679
where: short stacking energy: -75.713
Base-Backbone interact. energy: -0.781
local terms energy: -100.842545
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -142.405522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.405522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.405522 (E_RNA)
where:
Base-Base interactions energy: -48.468
where: short stacking energy: -44.075
Base-Backbone interact. energy: -0.116
local terms energy: -93.821963
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -119.522572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.522572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.522572 (E_RNA)
where:
Base-Base interactions energy: -52.465
where: short stacking energy: -27.537
Base-Backbone interact. energy: 0.549
local terms energy: -67.606184
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: 3.537
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: 91
Temperature: 1.350000
Total energy: -109.136463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.136463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.136463 (E_RNA)
where:
Base-Base interactions energy: -40.021
where: short stacking energy: -29.689
Base-Backbone interact. energy: -0.205
local terms energy: -68.910180
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: 1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -379.851144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.851144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.851144 (E_RNA)
where:
Base-Base interactions energy: -252.974
where: short stacking energy: -109.485
Base-Backbone interact. energy: -0.120
local terms energy: -126.756710
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -31.960
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: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -353.361932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.361932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.361932 (E_RNA)
where:
Base-Base interactions energy: -231.586
where: short stacking energy: -91.959
Base-Backbone interact. energy: -0.428
local terms energy: -121.348666
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -25.932
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: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -354.247763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.247763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.247763 (E_RNA)
where:
Base-Base interactions energy: -240.841
where: short stacking energy: -105.787
Base-Backbone interact. energy: -0.089
local terms energy: -113.318153
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -29.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -292.300198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.300198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.300198 (E_RNA)
where:
Base-Base interactions energy: -189.729
where: short stacking energy: -84.248
Base-Backbone interact. energy: -0.395
local terms energy: -102.176896
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -19.573
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: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -290.328970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.328970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.328970 (E_RNA)
where:
Base-Base interactions energy: -189.460
where: short stacking energy: -82.558
Base-Backbone interact. energy: -0.232
local terms energy: -100.636855
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -16.522
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: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -266.980984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.980984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.980984 (E_RNA)
where:
Base-Base interactions energy: -172.598
where: short stacking energy: -75.490
Base-Backbone interact. energy: -0.363
local terms energy: -94.019745
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -260.006548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.006548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.006548 (E_RNA)
where:
Base-Base interactions energy: -173.199
where: short stacking energy: -68.293
Base-Backbone interact. energy: 2.896
local terms energy: -89.702834
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -123.754547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.754547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.754547 (E_RNA)
where:
Base-Base interactions energy: -51.986
where: short stacking energy: -48.525
Base-Backbone interact. energy: 0.360
local terms energy: -72.128840
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -125.424427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.424427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.424427 (E_RNA)
where:
Base-Base interactions energy: -50.085
where: short stacking energy: -32.043
Base-Backbone interact. energy: -0.651
local terms energy: -74.688341
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -8.222
flat angles P-C4'-P energy: -17.782
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: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -145.888627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.888627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.888627 (E_RNA)
where:
Base-Base interactions energy: -68.634
where: short stacking energy: -43.894
Base-Backbone interact. energy: -2.217
local terms energy: -75.037374
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -4.039
tors. eta vs tors. theta energy: -7.086
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: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -389.976546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.976546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.976546 (E_RNA)
where:
Base-Base interactions energy: -256.557
where: short stacking energy: -116.063
Base-Backbone interact. energy: -0.038
local terms energy: -133.381916
where:
bonds (distance) C4'-P energy: -23.420
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -20.274
tors. eta vs tors. theta energy: -36.192
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: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -368.009249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.009249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.009249 (E_RNA)
where:
Base-Base interactions energy: -245.584
where: short stacking energy: -88.307
Base-Backbone interact. energy: -0.321
local terms energy: -122.103604
where:
bonds (distance) C4'-P energy: -25.616
bonds (distance) P-C4' energy: -28.287
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -15.959
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: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -349.039393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.039393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.039393 (E_RNA)
where:
Base-Base interactions energy: -238.099
where: short stacking energy: -89.097
Base-Backbone interact. energy: -0.904
local terms energy: -110.036183
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -26.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -309.975012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.975012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.975012 (E_RNA)
where:
Base-Base interactions energy: -195.466
where: short stacking energy: -86.730
Base-Backbone interact. energy: -0.401
local terms energy: -114.107423
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -25.410
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -22.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -285.194154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.194154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.194154 (E_RNA)
where:
Base-Base interactions energy: -191.049
where: short stacking energy: -77.966
Base-Backbone interact. energy: -0.392
local terms energy: -93.753053
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -15.896
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: 8
=====================================
Write number: 93
Temperature: 1.150000
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: -172.703
where: short stacking energy: -72.753
Base-Backbone interact. energy: -0.391
local terms energy: -89.612724
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -269.133600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.133600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.133600 (E_RNA)
where:
Base-Base interactions energy: -163.784
where: short stacking energy: -64.147
Base-Backbone interact. energy: -1.080
local terms energy: -104.270241
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -10.229
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: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -131.078251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.078251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.078251 (E_RNA)
where:
Base-Base interactions energy: -53.093
where: short stacking energy: -42.342
Base-Backbone interact. energy: -0.419
local terms energy: -77.566592
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -120.171279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.171279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.171279 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -36.934
Base-Backbone interact. energy: -0.442
local terms energy: -73.877565
where:
bonds (distance) C4'-P energy: -26.574
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -107.106145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.106145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.106145 (E_RNA)
where:
Base-Base interactions energy: -30.976
where: short stacking energy: -26.677
Base-Backbone interact. energy: -0.243
local terms energy: -75.887446
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -26.025
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: 0.192
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: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -382.742781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.742781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.742781 (E_RNA)
where:
Base-Base interactions energy: -251.497
where: short stacking energy: -115.883
Base-Backbone interact. energy: 0.687
local terms energy: -131.932667
where:
bonds (distance) C4'-P energy: -25.142
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -25.255
flat angles P-C4'-P energy: -18.988
tors. eta vs tors. theta energy: -35.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -358.864692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.864692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.864692 (E_RNA)
where:
Base-Base interactions energy: -232.624
where: short stacking energy: -102.857
Base-Backbone interact. energy: -0.667
local terms energy: -125.573954
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -21.693
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: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -353.521896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.521896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.521896 (E_RNA)
where:
Base-Base interactions energy: -237.449
where: short stacking energy: -100.297
Base-Backbone interact. energy: -1.273
local terms energy: -114.800740
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -28.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -337.487526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.487526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.487526 (E_RNA)
where:
Base-Base interactions energy: -225.442
where: short stacking energy: -118.466
Base-Backbone interact. energy: -0.095
local terms energy: -111.950657
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -30.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -289.477720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.477720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.477720 (E_RNA)
where:
Base-Base interactions energy: -186.791
where: short stacking energy: -80.064
Base-Backbone interact. energy: 0.343
local terms energy: -103.028829
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -287.557194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.557194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.557194 (E_RNA)
where:
Base-Base interactions energy: -182.487
where: short stacking energy: -84.811
Base-Backbone interact. energy: -0.423
local terms energy: -104.647582
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -267.383761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.383761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.383761 (E_RNA)
where:
Base-Base interactions energy: -174.542
where: short stacking energy: -79.546
Base-Backbone interact. energy: -0.145
local terms energy: -92.696746
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -138.551245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.551245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.551245 (E_RNA)
where:
Base-Base interactions energy: -46.187
where: short stacking energy: -46.187
Base-Backbone interact. energy: -0.199
local terms energy: -92.165108
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -123.720468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.720468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.720468 (E_RNA)
where:
Base-Base interactions energy: -41.780
where: short stacking energy: -40.621
Base-Backbone interact. energy: -0.363
local terms energy: -81.578370
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: 0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -110.614145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.614145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.614145 (E_RNA)
where:
Base-Base interactions energy: -42.989
where: short stacking energy: -35.297
Base-Backbone interact. energy: 0.299
local terms energy: -67.924134
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: 0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -365.996136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.996136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.996136 (E_RNA)
where:
Base-Base interactions energy: -238.695
where: short stacking energy: -112.829
Base-Backbone interact. energy: -0.126
local terms energy: -127.175646
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -28.210
flat angles C4'-P-C4' energy: -25.979
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -32.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -355.781595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.781595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.781595 (E_RNA)
where:
Base-Base interactions energy: -237.717
where: short stacking energy: -105.184
Base-Backbone interact. energy: -1.279
local terms energy: -116.785932
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: -27.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -358.083460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.083460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.083460 (E_RNA)
where:
Base-Base interactions energy: -240.863
where: short stacking energy: -98.380
Base-Backbone interact. energy: -1.855
local terms energy: -115.365713
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -25.805
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: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -319.916302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.916302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.916302 (E_RNA)
where:
Base-Base interactions energy: -204.645
where: short stacking energy: -98.759
Base-Backbone interact. energy: -0.433
local terms energy: -114.839019
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -30.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -301.659898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.659898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.659898 (E_RNA)
where:
Base-Base interactions energy: -202.870
where: short stacking energy: -77.283
Base-Backbone interact. energy: -0.288
local terms energy: -98.501901
where:
bonds (distance) C4'-P energy: -26.243
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -285.448893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.448893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.448893 (E_RNA)
where:
Base-Base interactions energy: -176.827
where: short stacking energy: -79.346
Base-Backbone interact. energy: -0.233
local terms energy: -108.388985
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -25.430
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -288.265025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.265025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.265025 (E_RNA)
where:
Base-Base interactions energy: -183.943
where: short stacking energy: -88.613
Base-Backbone interact. energy: 1.160
local terms energy: -105.481674
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -25.429
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -25.465
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: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -145.925899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.925899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.925899 (E_RNA)
where:
Base-Base interactions energy: -67.509
where: short stacking energy: -43.629
Base-Backbone interact. energy: -0.114
local terms energy: -78.303283
where:
bonds (distance) C4'-P energy: -21.764
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -128.358891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.358891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.358891 (E_RNA)
where:
Base-Base interactions energy: -45.096
where: short stacking energy: -40.368
Base-Backbone interact. energy: -0.150
local terms energy: -83.112715
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -0.653
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: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -99.600026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.600026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.600026 (E_RNA)
where:
Base-Base interactions energy: -29.475
where: short stacking energy: -18.562
Base-Backbone interact. energy: -0.383
local terms energy: -69.742226
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: 6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -362.831488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.831488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.831488 (E_RNA)
where:
Base-Base interactions energy: -241.086
where: short stacking energy: -107.076
Base-Backbone interact. energy: -0.597
local terms energy: -121.148536
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -27.540
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -30.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -358.389774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.389774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.389774 (E_RNA)
where:
Base-Base interactions energy: -226.895
where: short stacking energy: -111.248
Base-Backbone interact. energy: -0.915
local terms energy: -130.579353
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -18.630
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: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -357.940239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.940239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.940239 (E_RNA)
where:
Base-Base interactions energy: -242.742
where: short stacking energy: -107.453
Base-Backbone interact. energy: -1.593
local terms energy: -113.605097
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -26.104
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -29.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -290.969005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.969005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.969005 (E_RNA)
where:
Base-Base interactions energy: -174.290
where: short stacking energy: -93.165
Base-Backbone interact. energy: 0.586
local terms energy: -117.265507
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -24.699
flat angles C4'-P-C4' energy: -28.181
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -26.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -285.736340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.736340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.736340 (E_RNA)
where:
Base-Base interactions energy: -169.523
where: short stacking energy: -79.988
Base-Backbone interact. energy: -0.582
local terms energy: -115.631022
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -25.200
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -25.444
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: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -283.147345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.147345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.147345 (E_RNA)
where:
Base-Base interactions energy: -179.618
where: short stacking energy: -82.440
Base-Backbone interact. energy: -0.482
local terms energy: -103.047196
where:
bonds (distance) C4'-P energy: -24.398
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -14.371
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: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -281.780371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.780371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.780371 (E_RNA)
where:
Base-Base interactions energy: -181.374
where: short stacking energy: -79.058
Base-Backbone interact. energy: -0.549
local terms energy: -99.857078
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -148.958329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.958329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.958329 (E_RNA)
where:
Base-Base interactions energy: -69.295
where: short stacking energy: -39.417
Base-Backbone interact. energy: 0.403
local terms energy: -80.066773
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -117.352470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.352470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.352470 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -30.365
Base-Backbone interact. energy: -0.140
local terms energy: -86.624237
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -28.425
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -112.614602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.614602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.614602 (E_RNA)
where:
Base-Base interactions energy: -39.993
where: short stacking energy: -37.821
Base-Backbone interact. energy: 0.003
local terms energy: -72.624366
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -375.603040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.603040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.603040 (E_RNA)
where:
Base-Base interactions energy: -250.617
where: short stacking energy: -118.140
Base-Backbone interact. energy: -0.023
local terms energy: -124.963042
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -34.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -367.307577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.307577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.307577 (E_RNA)
where:
Base-Base interactions energy: -244.574
where: short stacking energy: -104.360
Base-Backbone interact. energy: -0.882
local terms energy: -121.850901
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -30.477
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: 97
Temperature: 1.000000
Total energy: -350.467747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.467747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.467747 (E_RNA)
where:
Base-Base interactions energy: -234.290
where: short stacking energy: -111.438
Base-Backbone interact. energy: -0.002
local terms energy: -116.176219
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -35.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -301.630449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.630449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.630449 (E_RNA)
where:
Base-Base interactions energy: -193.164
where: short stacking energy: -101.095
Base-Backbone interact. energy: -0.168
local terms energy: -108.298162
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -10.459
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: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -297.068463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.068463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.068463 (E_RNA)
where:
Base-Base interactions energy: -185.947
where: short stacking energy: -90.154
Base-Backbone interact. energy: -0.230
local terms energy: -110.890700
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -19.265
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -282.615624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.615624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.615624 (E_RNA)
where:
Base-Base interactions energy: -188.655
where: short stacking energy: -84.318
Base-Backbone interact. energy: -1.001
local terms energy: -92.959976
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -12.735
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: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -255.794024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.794024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.794024 (E_RNA)
where:
Base-Base interactions energy: -169.463
where: short stacking energy: -72.666
Base-Backbone interact. energy: -0.511
local terms energy: -85.820594
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -8.880
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: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -158.148258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.148258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.148258 (E_RNA)
where:
Base-Base interactions energy: -78.041
where: short stacking energy: -46.909
Base-Backbone interact. energy: -0.303
local terms energy: -79.804830
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -116.648870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.648870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.648870 (E_RNA)
where:
Base-Base interactions energy: -47.648
where: short stacking energy: -35.914
Base-Backbone interact. energy: -0.292
local terms energy: -68.708147
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -26.070
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: 6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -108.447276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.447276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.447276 (E_RNA)
where:
Base-Base interactions energy: -41.406
where: short stacking energy: -27.501
Base-Backbone interact. energy: -0.151
local terms energy: -66.890035
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: 2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -371.088325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.088325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.088325 (E_RNA)
where:
Base-Base interactions energy: -244.987
where: short stacking energy: -110.605
Base-Backbone interact. energy: -1.522
local terms energy: -124.578566
where:
bonds (distance) C4'-P energy: -28.172
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -27.859
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -28.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -372.668933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.668933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.668933 (E_RNA)
where:
Base-Base interactions energy: -242.981
where: short stacking energy: -112.610
Base-Backbone interact. energy: -0.099
local terms energy: -129.589216
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -36.059
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: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -355.290967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.290967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.290967 (E_RNA)
where:
Base-Base interactions energy: -226.409
where: short stacking energy: -111.910
Base-Backbone interact. energy: -0.023
local terms energy: -128.858776
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -28.743
flat angles C4'-P-C4' energy: -26.164
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -35.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -311.933041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.933041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.933041 (E_RNA)
where:
Base-Base interactions energy: -216.758
where: short stacking energy: -80.902
Base-Backbone interact. energy: -0.385
local terms energy: -94.790224
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -26.775
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -303.021142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.021142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.021142 (E_RNA)
where:
Base-Base interactions energy: -194.908
where: short stacking energy: -98.235
Base-Backbone interact. energy: -0.051
local terms energy: -108.062481
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -22.723
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -282.106745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.106745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.106745 (E_RNA)
where:
Base-Base interactions energy: -170.055
where: short stacking energy: -83.868
Base-Backbone interact. energy: 0.200
local terms energy: -112.251729
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -16.249
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: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -297.696285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.696285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.696285 (E_RNA)
where:
Base-Base interactions energy: -202.743
where: short stacking energy: -86.211
Base-Backbone interact. energy: -0.058
local terms energy: -94.894639
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -16.622
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: 98
Temperature: 1.250000
Total energy: -148.360895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.360895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.360895 (E_RNA)
where:
Base-Base interactions energy: -63.252
where: short stacking energy: -40.697
Base-Backbone interact. energy: -0.485
local terms energy: -84.624101
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -9.447
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: 98
Temperature: 1.300000
Total energy: -141.440904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.440904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.440904 (E_RNA)
where:
Base-Base interactions energy: -58.584
where: short stacking energy: -57.564
Base-Backbone interact. energy: -0.268
local terms energy: -82.589195
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -125.126326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.126326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.126326 (E_RNA)
where:
Base-Base interactions energy: -42.195
where: short stacking energy: -27.147
Base-Backbone interact. energy: -0.425
local terms energy: -82.505784
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: 0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -355.651593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.651593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.651593 (E_RNA)
where:
Base-Base interactions energy: -228.537
where: short stacking energy: -112.333
Base-Backbone interact. energy: 1.367
local terms energy: -128.481398
where:
bonds (distance) C4'-P energy: -25.721
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -20.194
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: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -362.905382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.905382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.905382 (E_RNA)
where:
Base-Base interactions energy: -232.789
where: short stacking energy: -115.590
Base-Backbone interact. energy: -0.053
local terms energy: -130.063664
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -36.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -352.395580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.395580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.395580 (E_RNA)
where:
Base-Base interactions energy: -240.273
where: short stacking energy: -104.639
Base-Backbone interact. energy: -0.507
local terms energy: -111.614598
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -29.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -315.038224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.038224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.038224 (E_RNA)
where:
Base-Base interactions energy: -193.199
where: short stacking energy: -101.021
Base-Backbone interact. energy: -0.604
local terms energy: -121.235261
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -31.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -294.631756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.631756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.631756 (E_RNA)
where:
Base-Base interactions energy: -190.565
where: short stacking energy: -86.258
Base-Backbone interact. energy: 2.660
local terms energy: -106.726556
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -26.669
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -277.166509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.166509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.166509 (E_RNA)
where:
Base-Base interactions energy: -173.412
where: short stacking energy: -79.204
Base-Backbone interact. energy: -0.718
local terms energy: -103.036493
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -24.990
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -254.126747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.126747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.126747 (E_RNA)
where:
Base-Base interactions energy: -168.820
where: short stacking energy: -79.409
Base-Backbone interact. energy: -0.224
local terms energy: -85.082855
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -13.581
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: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -129.969832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.969832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.969832 (E_RNA)
where:
Base-Base interactions energy: -49.012
where: short stacking energy: -38.031
Base-Backbone interact. energy: 0.419
local terms energy: -81.377317
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -118.826619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.826619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.826619 (E_RNA)
where:
Base-Base interactions energy: -46.778
where: short stacking energy: -45.584
Base-Backbone interact. energy: -0.048
local terms energy: -72.000341
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -115.035138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.035138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.035138 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -32.526
Base-Backbone interact. energy: -0.187
local terms energy: -79.299631
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: 1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -368.513505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.513505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.513505 (E_RNA)
where:
Base-Base interactions energy: -233.092
where: short stacking energy: -114.729
Base-Backbone interact. energy: -0.168
local terms energy: -135.253582
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -37.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -353.567193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.567193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.567193 (E_RNA)
where:
Base-Base interactions energy: -231.989
where: short stacking energy: -94.271
Base-Backbone interact. energy: -0.219
local terms energy: -121.359678
where:
bonds (distance) C4'-P energy: -26.848
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -27.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -360.428441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.428441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.428441 (E_RNA)
where:
Base-Base interactions energy: -245.096
where: short stacking energy: -103.041
Base-Backbone interact. energy: -0.014
local terms energy: -115.318847
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -27.255
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: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -301.963981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.963981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.963981 (E_RNA)
where:
Base-Base interactions energy: -188.166
where: short stacking energy: -83.350
Base-Backbone interact. energy: -0.125
local terms energy: -113.673535
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -281.682072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.682072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.682072 (E_RNA)
where:
Base-Base interactions energy: -185.726
where: short stacking energy: -71.010
Base-Backbone interact. energy: -0.596
local terms energy: -95.359834
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -252.679233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.679233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.679233 (E_RNA)
where:
Base-Base interactions energy: -147.272
where: short stacking energy: -73.129
Base-Backbone interact. energy: -0.194
local terms energy: -105.212446
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -262.970136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.970136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.970136 (E_RNA)
where:
Base-Base interactions energy: -166.577
where: short stacking energy: -75.644
Base-Backbone interact. energy: 0.016
local terms energy: -96.409187
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -143.776021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.776021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.776021 (E_RNA)
where:
Base-Base interactions energy: -60.337
where: short stacking energy: -35.481
Base-Backbone interact. energy: 1.815
local terms energy: -85.254435
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -117.104604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.104604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.104604 (E_RNA)
where:
Base-Base interactions energy: -40.042
where: short stacking energy: -33.106
Base-Backbone interact. energy: 0.277
local terms energy: -77.339419
where:
bonds (distance) C4'-P energy: -24.294
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -105.866712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.866712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.866712 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -30.925
Base-Backbone interact. energy: -2.552
local terms energy: -73.419901
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -368.567900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.567900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.567900 (E_RNA)
where:
Base-Base interactions energy: -231.150
where: short stacking energy: -116.528
Base-Backbone interact. energy: -0.448
local terms energy: -136.969644
where:
bonds (distance) C4'-P energy: -25.445
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -36.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -372.934090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.934090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.934090 (E_RNA)
where:
Base-Base interactions energy: -247.186
where: short stacking energy: -102.392
Base-Backbone interact. energy: -0.950
local terms energy: -124.798330
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -23.886
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -18.864
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: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -359.723722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.723722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.723722 (E_RNA)
where:
Base-Base interactions energy: -229.988
where: short stacking energy: -105.904
Base-Backbone interact. energy: -0.139
local terms energy: -129.596755
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -37.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -292.360621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.360621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.360621 (E_RNA)
where:
Base-Base interactions energy: -187.538
where: short stacking energy: -72.919
Base-Backbone interact. energy: -0.859
local terms energy: -103.963871
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -25.292
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -290.234084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.234084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.234084 (E_RNA)
where:
Base-Base interactions energy: -190.672
where: short stacking energy: -86.161
Base-Backbone interact. energy: -0.392
local terms energy: -99.169941
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -253.362373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.362373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.362373 (E_RNA)
where:
Base-Base interactions energy: -147.435
where: short stacking energy: -67.629
Base-Backbone interact. energy: -1.982
local terms energy: -103.945060
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -267.329858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.329858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.329858 (E_RNA)
where:
Base-Base interactions energy: -185.054
where: short stacking energy: -81.953
Base-Backbone interact. energy: -0.181
local terms energy: -82.094825
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -122.243325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.243325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.243325 (E_RNA)
where:
Base-Base interactions energy: -42.886
where: short stacking energy: -42.385
Base-Backbone interact. energy: -1.249
local terms energy: -78.107859
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -122.674370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.674370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.674370 (E_RNA)
where:
Base-Base interactions energy: -52.717
where: short stacking energy: -30.388
Base-Backbone interact. energy: 1.070
local terms energy: -71.028001
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: 1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -111.079044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.079044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.079044 (E_RNA)
where:
Base-Base interactions energy: -35.435
where: short stacking energy: -34.809
Base-Backbone interact. energy: -0.326
local terms energy: -75.318054
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -366.368545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.368545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.368545 (E_RNA)
where:
Base-Base interactions energy: -241.321
where: short stacking energy: -98.786
Base-Backbone interact. energy: 0.971
local terms energy: -126.018963
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -27.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -350.079747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.079747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.079747 (E_RNA)
where:
Base-Base interactions energy: -225.690
where: short stacking energy: -110.826
Base-Backbone interact. energy: -0.073
local terms energy: -124.316986
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -27.556
flat angles C4'-P-C4' energy: -27.454
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -34.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -302.345854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.345854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.345854 (E_RNA)
where:
Base-Base interactions energy: -186.342
where: short stacking energy: -89.224
Base-Backbone interact. energy: -0.487
local terms energy: -115.517543
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -332.637728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.637728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.637728 (E_RNA)
where:
Base-Base interactions energy: -212.432
where: short stacking energy: -90.599
Base-Backbone interact. energy: 0.333
local terms energy: -120.538905
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -26.026
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: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -293.208255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.208255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.208255 (E_RNA)
where:
Base-Base interactions energy: -184.329
where: short stacking energy: -85.601
Base-Backbone interact. energy: -0.175
local terms energy: -108.703824
where:
bonds (distance) C4'-P energy: -26.304
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -289.552858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.552858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.552858 (E_RNA)
where:
Base-Base interactions energy: -187.443
where: short stacking energy: -80.088
Base-Backbone interact. energy: -0.203
local terms energy: -101.907209
where:
bonds (distance) C4'-P energy: -26.076
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -18.212
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: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -285.571413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.571413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.571413 (E_RNA)
where:
Base-Base interactions energy: -182.491
where: short stacking energy: -80.575
Base-Backbone interact. energy: -0.623
local terms energy: -102.457728
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -13.954
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: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -122.072996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.072996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.072996 (E_RNA)
where:
Base-Base interactions energy: -47.852
where: short stacking energy: -37.369
Base-Backbone interact. energy: -0.215
local terms energy: -74.006121
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -118.714245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.714245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.714245 (E_RNA)
where:
Base-Base interactions energy: -45.687
where: short stacking energy: -39.352
Base-Backbone interact. energy: -1.023
local terms energy: -72.005051
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -105.221940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.221940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.221940 (E_RNA)
where:
Base-Base interactions energy: -32.868
where: short stacking energy: -27.287
Base-Backbone interact. energy: -0.289
local terms energy: -72.064929
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: 3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -352.256887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.256887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.256887 (E_RNA)
where:
Base-Base interactions energy: -236.666
where: short stacking energy: -99.799
Base-Backbone interact. energy: -1.173
local terms energy: -114.417507
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -25.218
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: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -362.622921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.622921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.622921 (E_RNA)
where:
Base-Base interactions energy: -224.346
where: short stacking energy: -113.695
Base-Backbone interact. energy: -0.074
local terms energy: -138.203445
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -29.459
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -37.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -302.724822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.724822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.724822 (E_RNA)
where:
Base-Base interactions energy: -200.919
where: short stacking energy: -85.941
Base-Backbone interact. energy: -1.201
local terms energy: -100.604372
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -332.249727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.249727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.249727 (E_RNA)
where:
Base-Base interactions energy: -228.302
where: short stacking energy: -105.852
Base-Backbone interact. energy: -0.275
local terms energy: -103.673538
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -31.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -293.622821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.622821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.622821 (E_RNA)
where:
Base-Base interactions energy: -189.757
where: short stacking energy: -95.459
Base-Backbone interact. energy: -0.648
local terms energy: -103.217998
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: -24.377
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: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -288.487121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.487121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.487121 (E_RNA)
where:
Base-Base interactions energy: -187.206
where: short stacking energy: -88.357
Base-Backbone interact. energy: -0.392
local terms energy: -100.889162
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -24.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -273.889901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.889901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.889901 (E_RNA)
where:
Base-Base interactions energy: -173.541
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.120
local terms energy: -100.228475
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -18.718
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: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -137.652568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.652568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.652568 (E_RNA)
where:
Base-Base interactions energy: -59.805
where: short stacking energy: -48.025
Base-Backbone interact. energy: -0.239
local terms energy: -77.608471
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -10.843
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: 9, replica: 2
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -128.287224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.287224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.287224 (E_RNA)
where:
Base-Base interactions energy: -51.993
where: short stacking energy: -46.031
Base-Backbone interact. energy: 4.452
local terms energy: -80.746744
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -5.671
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: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -104.603262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.603262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.603262 (E_RNA)
where:
Base-Base interactions energy: -39.776
where: short stacking energy: -35.788
Base-Backbone interact. energy: -0.214
local terms energy: -64.612807
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -7.161
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: 1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -361.088018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.088018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.088018 (E_RNA)
where:
Base-Base interactions energy: -236.157
where: short stacking energy: -107.257
Base-Backbone interact. energy: -0.090
local terms energy: -124.841090
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: -29.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -359.917130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.917130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.917130 (E_RNA)
where:
Base-Base interactions energy: -236.530
where: short stacking energy: -105.290
Base-Backbone interact. energy: -0.196
local terms energy: -123.190996
where:
bonds (distance) C4'-P energy: -25.776
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -34.794
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: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -348.890249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.890249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.890249 (E_RNA)
where:
Base-Base interactions energy: -231.294
where: short stacking energy: -106.633
Base-Backbone interact. energy: -0.155
local terms energy: -117.441933
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -31.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -288.102874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.102874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.102874 (E_RNA)
where:
Base-Base interactions energy: -201.596
where: short stacking energy: -82.315
Base-Backbone interact. energy: -0.209
local terms energy: -86.296913
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -296.365494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.365494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.365494 (E_RNA)
where:
Base-Base interactions energy: -187.255
where: short stacking energy: -89.188
Base-Backbone interact. energy: -0.423
local terms energy: -108.686931
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -25.096
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: 104
Temperature: 1.150000
Total energy: -272.476623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.476623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.476623 (E_RNA)
where:
Base-Base interactions energy: -167.503
where: short stacking energy: -88.521
Base-Backbone interact. energy: -0.360
local terms energy: -104.613931
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -242.070118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.070118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.070118 (E_RNA)
where:
Base-Base interactions energy: -160.327
where: short stacking energy: -61.551
Base-Backbone interact. energy: -0.701
local terms energy: -81.041383
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -127.653946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.653946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.653946 (E_RNA)
where:
Base-Base interactions energy: -32.196
where: short stacking energy: -32.196
Base-Backbone interact. energy: -0.227
local terms energy: -95.231384
where:
bonds (distance) C4'-P energy: -25.527
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -3.871
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: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -112.091682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.091682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.091682 (E_RNA)
where:
Base-Base interactions energy: -34.045
where: short stacking energy: -26.134
Base-Backbone interact. energy: -0.269
local terms energy: -77.777550
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -8.772
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: 2
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -129.072434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.072434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.072434 (E_RNA)
where:
Base-Base interactions energy: -49.847
where: short stacking energy: -49.627
Base-Backbone interact. energy: -0.312
local terms energy: -78.913422
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -376.600559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.600559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.600559 (E_RNA)
where:
Base-Base interactions energy: -245.710
where: short stacking energy: -114.344
Base-Backbone interact. energy: -0.014
local terms energy: -130.876598
where:
bonds (distance) C4'-P energy: -24.637
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -27.391
flat angles P-C4'-P energy: -21.179
tors. eta vs tors. theta energy: -36.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -363.305587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.305587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.305587 (E_RNA)
where:
Base-Base interactions energy: -235.294
where: short stacking energy: -104.114
Base-Backbone interact. energy: 1.527
local terms energy: -129.539196
where:
bonds (distance) C4'-P energy: -25.991
bonds (distance) P-C4' energy: -29.979
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -31.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -346.238911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.238911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.238911 (E_RNA)
where:
Base-Base interactions energy: -223.602
where: short stacking energy: -100.977
Base-Backbone interact. energy: -0.351
local terms energy: -122.286314
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -20.652
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: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -286.271342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.271342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.271342 (E_RNA)
where:
Base-Base interactions energy: -182.135
where: short stacking energy: -84.128
Base-Backbone interact. energy: -0.548
local terms energy: -103.589012
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -289.915986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.915986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.915986 (E_RNA)
where:
Base-Base interactions energy: -186.506
where: short stacking energy: -91.869
Base-Backbone interact. energy: -1.091
local terms energy: -102.318062
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -265.141650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.141650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.141650 (E_RNA)
where:
Base-Base interactions energy: -167.689
where: short stacking energy: -67.983
Base-Backbone interact. energy: 0.096
local terms energy: -97.548787
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -11.381
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: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -276.021059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.021059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.021059 (E_RNA)
where:
Base-Base interactions energy: -165.508
where: short stacking energy: -71.742
Base-Backbone interact. energy: 0.562
local terms energy: -111.074470
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -25.353
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -22.209
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: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -135.006682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.006682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.006682 (E_RNA)
where:
Base-Base interactions energy: -50.535
where: short stacking energy: -45.863
Base-Backbone interact. energy: 1.932
local terms energy: -86.403920
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -167.595165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.595165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.595165 (E_RNA)
where:
Base-Base interactions energy: -79.903
where: short stacking energy: -48.666
Base-Backbone interact. energy: 0.027
local terms energy: -87.719428
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -123.800501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.800501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.800501 (E_RNA)
where:
Base-Base interactions energy: -48.836
where: short stacking energy: -30.148
Base-Backbone interact. energy: 0.080
local terms energy: -75.044703
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: 1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -368.106134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.106134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.106134 (E_RNA)
where:
Base-Base interactions energy: -234.962
where: short stacking energy: -116.159
Base-Backbone interact. energy: -0.001
local terms energy: -133.143728
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -26.686
flat angles P-C4'-P energy: -19.447
tors. eta vs tors. theta energy: -35.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -347.757936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.757936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.757936 (E_RNA)
where:
Base-Base interactions energy: -224.307
where: short stacking energy: -104.654
Base-Backbone interact. energy: -0.798
local terms energy: -122.652833
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -35.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -337.473619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.473619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.473619 (E_RNA)
where:
Base-Base interactions energy: -224.710
where: short stacking energy: -97.332
Base-Backbone interact. energy: -1.852
local terms energy: -110.911610
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -29.866
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: 106
Temperature: 1.050000
Total energy: -285.292675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.292675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.292675 (E_RNA)
where:
Base-Base interactions energy: -180.642
where: short stacking energy: -76.036
Base-Backbone interact. energy: -0.366
local terms energy: -104.284820
where:
bonds (distance) C4'-P energy: -23.656
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -18.392
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: 5, replica: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -296.790872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.790872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.790872 (E_RNA)
where:
Base-Base interactions energy: -189.512
where: short stacking energy: -83.972
Base-Backbone interact. energy: -0.080
local terms energy: -107.198153
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -26.091
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -313.302887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.302887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.302887 (E_RNA)
where:
Base-Base interactions energy: -210.805
where: short stacking energy: -79.878
Base-Backbone interact. energy: -0.428
local terms energy: -102.069175
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -14.602
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: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -257.753569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.753569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.753569 (E_RNA)
where:
Base-Base interactions energy: -170.689
where: short stacking energy: -73.761
Base-Backbone interact. energy: -1.145
local terms energy: -85.919573
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -120.363606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.363606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.363606 (E_RNA)
where:
Base-Base interactions energy: -36.151
where: short stacking energy: -29.696
Base-Backbone interact. energy: 1.440
local terms energy: -85.652500
where:
bonds (distance) C4'-P energy: -24.932
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: 3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -113.436704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.436704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.436704 (E_RNA)
where:
Base-Base interactions energy: -41.224
where: short stacking energy: -31.095
Base-Backbone interact. energy: 1.105
local terms energy: -73.317624
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -16.340
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: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -158.095480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.095480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.095480 (E_RNA)
where:
Base-Base interactions energy: -72.233
where: short stacking energy: -42.645
Base-Backbone interact. energy: -0.104
local terms energy: -85.758392
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -369.245548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.245548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.245548 (E_RNA)
where:
Base-Base interactions energy: -242.081
where: short stacking energy: -117.440
Base-Backbone interact. energy: -0.589
local terms energy: -126.575094
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -26.782
flat angles C4'-P-C4' energy: -27.249
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -35.640
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: 107
Temperature: 0.950000
Total energy: -353.588105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.588105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.588105 (E_RNA)
where:
Base-Base interactions energy: -221.344
where: short stacking energy: -101.108
Base-Backbone interact. energy: -0.611
local terms energy: -131.633791
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -30.674
flat angles C4'-P-C4' energy: -26.593
flat angles P-C4'-P energy: -18.863
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: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -351.348778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.348778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.348778 (E_RNA)
where:
Base-Base interactions energy: -245.760
where: short stacking energy: -99.022
Base-Backbone interact. energy: -0.544
local terms energy: -105.045478
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -29.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -292.476634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.476634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.476634 (E_RNA)
where:
Base-Base interactions energy: -180.789
where: short stacking energy: -93.829
Base-Backbone interact. energy: -1.144
local terms energy: -110.542979
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -25.581
flat angles C4'-P-C4' energy: -27.814
flat angles P-C4'-P energy: -11.677
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: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -275.755114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.755114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.755114 (E_RNA)
where:
Base-Base interactions energy: -179.035
where: short stacking energy: -77.282
Base-Backbone interact. energy: -0.037
local terms energy: -96.683993
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -269.864056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.864056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.864056 (E_RNA)
where:
Base-Base interactions energy: -172.295
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.131
local terms energy: -97.438319
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -273.958778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.958778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.958778 (E_RNA)
where:
Base-Base interactions energy: -174.707
where: short stacking energy: -72.787
Base-Backbone interact. energy: -0.056
local terms energy: -99.195690
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -118.888058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.888058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.888058 (E_RNA)
where:
Base-Base interactions energy: -50.934
where: short stacking energy: -37.386
Base-Backbone interact. energy: -0.314
local terms energy: -67.640011
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: 3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -123.539703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.539703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.539703 (E_RNA)
where:
Base-Base interactions energy: -53.892
where: short stacking energy: -38.203
Base-Backbone interact. energy: 0.024
local terms energy: -69.671623
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: 3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -161.221864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.221864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.221864 (E_RNA)
where:
Base-Base interactions energy: -81.794
where: short stacking energy: -32.880
Base-Backbone interact. energy: -0.542
local terms energy: -78.885429
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: 3.410
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: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -370.229401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.229401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.229401 (E_RNA)
where:
Base-Base interactions energy: -237.520
where: short stacking energy: -108.867
Base-Backbone interact. energy: -0.729
local terms energy: -131.980936
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -27.946
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -31.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -371.503524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.503524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.503524 (E_RNA)
where:
Base-Base interactions energy: -242.933
where: short stacking energy: -110.907
Base-Backbone interact. energy: -0.656
local terms energy: -127.914683
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -28.026
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -32.980
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: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -355.584302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.584302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.584302 (E_RNA)
where:
Base-Base interactions energy: -240.099
where: short stacking energy: -95.779
Base-Backbone interact. energy: 1.105
local terms energy: -116.590642
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -27.630
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -32.907
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: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -314.850262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.850262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.850262 (E_RNA)
where:
Base-Base interactions energy: -195.207
where: short stacking energy: -99.038
Base-Backbone interact. energy: -1.823
local terms energy: -117.820054
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -26.531
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -29.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -277.683144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.683144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.683144 (E_RNA)
where:
Base-Base interactions energy: -168.421
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.622
local terms energy: -108.639972
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -25.994
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -19.660
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: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -281.092759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.092759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.092759 (E_RNA)
where:
Base-Base interactions energy: -177.612
where: short stacking energy: -71.701
Base-Backbone interact. energy: -0.546
local terms energy: -102.934661
where:
bonds (distance) C4'-P energy: -24.940
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -18.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -268.943873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.943873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.943873 (E_RNA)
where:
Base-Base interactions energy: -173.639
where: short stacking energy: -85.940
Base-Backbone interact. energy: -0.110
local terms energy: -95.194953
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -23.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -123.503722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.503722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.503722 (E_RNA)
where:
Base-Base interactions energy: -57.047
where: short stacking energy: -36.043
Base-Backbone interact. energy: 0.050
local terms energy: -66.506941
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: 2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -127.475665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.475665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.475665 (E_RNA)
where:
Base-Base interactions energy: -68.717
where: short stacking energy: -32.555
Base-Backbone interact. energy: 0.598
local terms energy: -59.357071
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: 7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -119.126542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.126542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.126542 (E_RNA)
where:
Base-Base interactions energy: -49.550
where: short stacking energy: -35.012
Base-Backbone interact. energy: -0.630
local terms energy: -68.947114
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -24.491
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -368.669286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.669286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.669286 (E_RNA)
where:
Base-Base interactions energy: -235.102
where: short stacking energy: -111.819
Base-Backbone interact. energy: -0.786
local terms energy: -132.780946
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -35.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -369.025817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.025817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.025817 (E_RNA)
where:
Base-Base interactions energy: -250.078
where: short stacking energy: -108.362
Base-Backbone interact. energy: -0.142
local terms energy: -118.805056
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -29.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -364.788081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.788081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.788081 (E_RNA)
where:
Base-Base interactions energy: -235.106
where: short stacking energy: -115.935
Base-Backbone interact. energy: -0.549
local terms energy: -129.133649
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -32.680
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: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -303.533227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.533227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.533227 (E_RNA)
where:
Base-Base interactions energy: -193.240
where: short stacking energy: -90.195
Base-Backbone interact. energy: -0.087
local terms energy: -110.206711
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -22.917
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: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -298.941800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.941800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.941800 (E_RNA)
where:
Base-Base interactions energy: -183.144
where: short stacking energy: -91.041
Base-Backbone interact. energy: -0.406
local terms energy: -115.391443
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -29.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -286.000460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.000460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.000460 (E_RNA)
where:
Base-Base interactions energy: -170.117
where: short stacking energy: -80.918
Base-Backbone interact. energy: -0.236
local terms energy: -115.647054
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -27.860
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -19.029
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: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -252.221296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.221296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.221296 (E_RNA)
where:
Base-Base interactions energy: -176.333
where: short stacking energy: -70.728
Base-Backbone interact. energy: -0.280
local terms energy: -75.609145
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -13.299
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: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -144.790700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.790700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.790700 (E_RNA)
where:
Base-Base interactions energy: -50.486
where: short stacking energy: -46.788
Base-Backbone interact. energy: 1.373
local terms energy: -95.677555
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -13.796
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: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -131.750720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.750720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.750720 (E_RNA)
where:
Base-Base interactions energy: -57.841
where: short stacking energy: -45.004
Base-Backbone interact. energy: -0.256
local terms energy: -73.654420
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -119.222887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.222887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.222887 (E_RNA)
where:
Base-Base interactions energy: -43.638
where: short stacking energy: -31.146
Base-Backbone interact. energy: -1.827
local terms energy: -73.757650
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: 1.710
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: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -375.653134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.653134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.653134 (E_RNA)
where:
Base-Base interactions energy: -249.902
where: short stacking energy: -108.863
Base-Backbone interact. energy: -0.922
local terms energy: -124.829736
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -27.399
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -30.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -363.662208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.662208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.662208 (E_RNA)
where:
Base-Base interactions energy: -239.454
where: short stacking energy: -106.035
Base-Backbone interact. energy: -0.780
local terms energy: -123.427737
where:
bonds (distance) C4'-P energy: -27.019
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -27.383
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -30.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -348.250467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.250467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.250467 (E_RNA)
where:
Base-Base interactions energy: -222.134
where: short stacking energy: -98.873
Base-Backbone interact. energy: -0.490
local terms energy: -125.626310
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -28.170
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -28.675
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: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -319.446408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.446408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.446408 (E_RNA)
where:
Base-Base interactions energy: -210.458
where: short stacking energy: -90.531
Base-Backbone interact. energy: -0.215
local terms energy: -108.773109
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -20.270
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: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -276.209880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.209880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.209880 (E_RNA)
where:
Base-Base interactions energy: -169.941
where: short stacking energy: -80.888
Base-Backbone interact. energy: -0.206
local terms energy: -106.062731
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -26.239
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -262.213821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.213821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.213821 (E_RNA)
where:
Base-Base interactions energy: -170.671
where: short stacking energy: -76.158
Base-Backbone interact. energy: -0.133
local terms energy: -91.410292
where:
bonds (distance) C4'-P energy: -25.312
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -272.149352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.149352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.149352 (E_RNA)
where:
Base-Base interactions energy: -169.220
where: short stacking energy: -77.996
Base-Backbone interact. energy: -0.022
local terms energy: -102.907513
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -142.926397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.926397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.926397 (E_RNA)
where:
Base-Base interactions energy: -69.236
where: short stacking energy: -41.025
Base-Backbone interact. energy: -0.198
local terms energy: -73.492625
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -1.829
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: 110
Temperature: 1.300000
Total energy: -125.930879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.930879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.930879 (E_RNA)
where:
Base-Base interactions energy: -37.170
where: short stacking energy: -33.223
Base-Backbone interact. energy: -0.243
local terms energy: -88.517928
where:
bonds (distance) C4'-P energy: -24.290
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -12.710
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: 2
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -111.154084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.154084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.154084 (E_RNA)
where:
Base-Base interactions energy: -37.808
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.769
local terms energy: -72.576482
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: 0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -371.539307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.539307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.539307 (E_RNA)
where:
Base-Base interactions energy: -246.681
where: short stacking energy: -110.560
Base-Backbone interact. energy: -0.231
local terms energy: -124.627589
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -34.753
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: 111
Temperature: 0.950000
Total energy: -357.244300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.244300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.244300 (E_RNA)
where:
Base-Base interactions energy: -236.986
where: short stacking energy: -106.813
Base-Backbone interact. energy: 1.086
local terms energy: -121.344320
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -30.828
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: 111
Temperature: 1.000000
Total energy: -357.262040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.262040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.262040 (E_RNA)
where:
Base-Base interactions energy: -228.514
where: short stacking energy: -107.232
Base-Backbone interact. energy: -0.476
local terms energy: -128.272686
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -26.870
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -36.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -307.626374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.626374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.626374 (E_RNA)
where:
Base-Base interactions energy: -198.012
where: short stacking energy: -97.349
Base-Backbone interact. energy: 6.103
local terms energy: -115.717328
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -26.205
flat angles P-C4'-P energy: -14.447
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: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -285.179422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.179422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.179422 (E_RNA)
where:
Base-Base interactions energy: -185.248
where: short stacking energy: -81.080
Base-Backbone interact. energy: 0.975
local terms energy: -100.906716
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -263.861860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.861860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.861860 (E_RNA)
where:
Base-Base interactions energy: -167.042
where: short stacking energy: -73.286
Base-Backbone interact. energy: -1.734
local terms energy: -95.085500
where:
bonds (distance) C4'-P energy: -23.441
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -278.690938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.690938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.690938 (E_RNA)
where:
Base-Base interactions energy: -188.381
where: short stacking energy: -78.882
Base-Backbone interact. energy: 0.897
local terms energy: -91.206865
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -128.399239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.399239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.399239 (E_RNA)
where:
Base-Base interactions energy: -49.366
where: short stacking energy: -24.588
Base-Backbone interact. energy: -0.415
local terms energy: -78.618371
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -25.756
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: 5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -116.508467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.508467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.508467 (E_RNA)
where:
Base-Base interactions energy: -40.555
where: short stacking energy: -33.147
Base-Backbone interact. energy: -0.422
local terms energy: -75.531329
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -117.801494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.801494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.801494 (E_RNA)
where:
Base-Base interactions energy: -43.766
where: short stacking energy: -43.766
Base-Backbone interact. energy: 0.371
local terms energy: -74.406415
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: 0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -368.166493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.166493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.166493 (E_RNA)
where:
Base-Base interactions energy: -246.625
where: short stacking energy: -108.324
Base-Backbone interact. energy: -0.626
local terms energy: -120.915646
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -33.365
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: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -373.969067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.969067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.969067 (E_RNA)
where:
Base-Base interactions energy: -247.069
where: short stacking energy: -113.101
Base-Backbone interact. energy: -0.724
local terms energy: -126.176222
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -34.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -345.143869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.143869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.143869 (E_RNA)
where:
Base-Base interactions energy: -218.022
where: short stacking energy: -107.800
Base-Backbone interact. energy: 1.166
local terms energy: -128.287435
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -28.336
flat angles P-C4'-P energy: -16.788
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: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -321.548481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.548481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.548481 (E_RNA)
where:
Base-Base interactions energy: -200.430
where: short stacking energy: -91.794
Base-Backbone interact. energy: -0.299
local terms energy: -120.819872
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -25.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -277.267111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.267111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.267111 (E_RNA)
where:
Base-Base interactions energy: -173.987
where: short stacking energy: -91.173
Base-Backbone interact. energy: -0.066
local terms energy: -103.213653
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -24.840
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: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -284.034122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.034122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.034122 (E_RNA)
where:
Base-Base interactions energy: -186.029
where: short stacking energy: -78.234
Base-Backbone interact. energy: -0.573
local terms energy: -97.431738
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -24.844
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -261.842720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.842720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.842720 (E_RNA)
where:
Base-Base interactions energy: -167.374
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.180
local terms energy: -94.288385
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -128.562555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.562555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.562555 (E_RNA)
where:
Base-Base interactions energy: -49.555
where: short stacking energy: -40.534
Base-Backbone interact. energy: -0.167
local terms energy: -78.840759
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -27.872
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -0.518
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: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -119.834363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.834363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.834363 (E_RNA)
where:
Base-Base interactions energy: -41.750
where: short stacking energy: -36.012
Base-Backbone interact. energy: -0.213
local terms energy: -77.871766
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -122.144008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.144008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.144008 (E_RNA)
where:
Base-Base interactions energy: -47.825
where: short stacking energy: -34.077
Base-Backbone interact. energy: -0.299
local terms energy: -74.020350
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -13.861
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: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -370.986148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.986148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.986148 (E_RNA)
where:
Base-Base interactions energy: -245.753
where: short stacking energy: -102.290
Base-Backbone interact. energy: -0.482
local terms energy: -124.750714
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -31.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -355.995028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.995028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.995028 (E_RNA)
where:
Base-Base interactions energy: -238.890
where: short stacking energy: -105.314
Base-Backbone interact. energy: -0.150
local terms energy: -116.955151
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -28.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -340.164762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.164762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.164762 (E_RNA)
where:
Base-Base interactions energy: -220.395
where: short stacking energy: -98.893
Base-Backbone interact. energy: -0.367
local terms energy: -119.403028
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -24.871
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -29.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -298.384938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.384938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.384938 (E_RNA)
where:
Base-Base interactions energy: -190.277
where: short stacking energy: -79.791
Base-Backbone interact. energy: -1.426
local terms energy: -106.681770
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -263.078032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.078032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.078032 (E_RNA)
where:
Base-Base interactions energy: -169.549
where: short stacking energy: -80.816
Base-Backbone interact. energy: -1.238
local terms energy: -92.291269
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -22.812
flat angles P-C4'-P energy: -7.736
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: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -271.134411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.134411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.134411 (E_RNA)
where:
Base-Base interactions energy: -176.041
where: short stacking energy: -76.444
Base-Backbone interact. energy: -0.551
local terms energy: -94.542856
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -271.264447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.264447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.264447 (E_RNA)
where:
Base-Base interactions energy: -164.006
where: short stacking energy: -78.475
Base-Backbone interact. energy: -0.005
local terms energy: -107.252922
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -15.472
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: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -127.396344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.396344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.396344 (E_RNA)
where:
Base-Base interactions energy: -52.945
where: short stacking energy: -37.719
Base-Backbone interact. energy: 0.784
local terms energy: -75.235190
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -136.177995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.177995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.177995 (E_RNA)
where:
Base-Base interactions energy: -62.018
where: short stacking energy: -46.682
Base-Backbone interact. energy: -0.446
local terms energy: -73.713987
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -122.692873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.692873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.692873 (E_RNA)
where:
Base-Base interactions energy: -51.109
where: short stacking energy: -36.060
Base-Backbone interact. energy: 1.017
local terms energy: -72.600835
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -369.691240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.691240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.691240 (E_RNA)
where:
Base-Base interactions energy: -244.559
where: short stacking energy: -114.799
Base-Backbone interact. energy: -0.039
local terms energy: -125.093480
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -33.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -363.725483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.725483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.725483 (E_RNA)
where:
Base-Base interactions energy: -242.857
where: short stacking energy: -105.573
Base-Backbone interact. energy: 0.696
local terms energy: -121.564036
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -17.739
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: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -352.822609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.822609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.822609 (E_RNA)
where:
Base-Base interactions energy: -231.971
where: short stacking energy: -108.326
Base-Backbone interact. energy: -0.154
local terms energy: -120.696923
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -23.013
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -34.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -301.305544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.305544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.305544 (E_RNA)
where:
Base-Base interactions energy: -194.123
where: short stacking energy: -94.940
Base-Backbone interact. energy: -1.817
local terms energy: -105.365938
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -24.463
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -28.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -286.235942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.235942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.235942 (E_RNA)
where:
Base-Base interactions energy: -190.609
where: short stacking energy: -79.026
Base-Backbone interact. energy: 1.066
local terms energy: -96.692505
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -277.915623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.915623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.915623 (E_RNA)
where:
Base-Base interactions energy: -178.148
where: short stacking energy: -69.399
Base-Backbone interact. energy: 0.659
local terms energy: -100.426502
where:
bonds (distance) C4'-P energy: -26.920
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -274.414697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.414697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.414697 (E_RNA)
where:
Base-Base interactions energy: -180.440
where: short stacking energy: -77.628
Base-Backbone interact. energy: 0.695
local terms energy: -94.670051
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -162.713592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.713592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.713592 (E_RNA)
where:
Base-Base interactions energy: -77.079
where: short stacking energy: -48.732
Base-Backbone interact. energy: 1.774
local terms energy: -87.408508
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -27.259
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -16.800
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: 9, replica: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -125.366207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.366207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.366207 (E_RNA)
where:
Base-Base interactions energy: -49.369
where: short stacking energy: -39.302
Base-Backbone interact. energy: -0.277
local terms energy: -75.719587
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -12.513
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: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -111.855917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.855917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.855917 (E_RNA)
where:
Base-Base interactions energy: -42.995
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.355
local terms energy: -68.505804
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -377.356015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.356015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.356015 (E_RNA)
where:
Base-Base interactions energy: -247.275
where: short stacking energy: -111.394
Base-Backbone interact. energy: -0.516
local terms energy: -129.565588
where:
bonds (distance) C4'-P energy: -26.997
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -36.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -364.743956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.743956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.743956 (E_RNA)
where:
Base-Base interactions energy: -235.871
where: short stacking energy: -104.319
Base-Backbone interact. energy: -1.830
local terms energy: -127.042197
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -33.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -353.345689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.345689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.345689 (E_RNA)
where:
Base-Base interactions energy: -225.957
where: short stacking energy: -109.740
Base-Backbone interact. energy: -0.020
local terms energy: -127.368806
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -39.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -293.111397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.111397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.111397 (E_RNA)
where:
Base-Base interactions energy: -191.018
where: short stacking energy: -85.722
Base-Backbone interact. energy: -0.262
local terms energy: -101.831632
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -300.197231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.197231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.197231 (E_RNA)
where:
Base-Base interactions energy: -181.099
where: short stacking energy: -95.783
Base-Backbone interact. energy: -0.261
local terms energy: -118.838028
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -31.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -279.828330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.828330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.828330 (E_RNA)
where:
Base-Base interactions energy: -168.816
where: short stacking energy: -77.904
Base-Backbone interact. energy: -1.002
local terms energy: -110.010161
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -263.778442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.778442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.778442 (E_RNA)
where:
Base-Base interactions energy: -163.828
where: short stacking energy: -73.654
Base-Backbone interact. energy: -1.605
local terms energy: -98.345146
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -18.245
tors. eta vs tors. theta energy: -12.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -173.998091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.998091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.998091 (E_RNA)
where:
Base-Base interactions energy: -91.784
where: short stacking energy: -49.554
Base-Backbone interact. energy: 2.583
local terms energy: -84.797915
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -115.957776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.957776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.957776 (E_RNA)
where:
Base-Base interactions energy: -43.745
where: short stacking energy: -36.948
Base-Backbone interact. energy: -0.422
local terms energy: -71.790867
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -112.852641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.852641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.852641 (E_RNA)
where:
Base-Base interactions energy: -38.156
where: short stacking energy: -31.024
Base-Backbone interact. energy: -0.293
local terms energy: -74.403687
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -373.644650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.644650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.644650 (E_RNA)
where:
Base-Base interactions energy: -245.367
where: short stacking energy: -106.915
Base-Backbone interact. energy: -0.764
local terms energy: -127.514013
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -33.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -362.675914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.675914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.675914 (E_RNA)
where:
Base-Base interactions energy: -239.203
where: short stacking energy: -111.581
Base-Backbone interact. energy: -0.308
local terms energy: -123.164081
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -34.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -357.236944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.236944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.236944 (E_RNA)
where:
Base-Base interactions energy: -236.326
where: short stacking energy: -116.257
Base-Backbone interact. energy: 0.675
local terms energy: -121.586010
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -26.495
flat angles C4'-P-C4' energy: -24.908
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -35.303
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: 4, replica: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -289.341235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.341235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.341235 (E_RNA)
where:
Base-Base interactions energy: -192.239
where: short stacking energy: -77.355
Base-Backbone interact. energy: -1.352
local terms energy: -95.749849
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -285.518217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.518217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.518217 (E_RNA)
where:
Base-Base interactions energy: -184.509
where: short stacking energy: -85.500
Base-Backbone interact. energy: -0.335
local terms energy: -100.673981
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -12.859
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: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -265.878064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.878064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.878064 (E_RNA)
where:
Base-Base interactions energy: -171.450
where: short stacking energy: -64.324
Base-Backbone interact. energy: 0.189
local terms energy: -94.617718
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -264.664307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.664307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.664307 (E_RNA)
where:
Base-Base interactions energy: -160.485
where: short stacking energy: -76.771
Base-Backbone interact. energy: -0.749
local terms energy: -103.430070
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -147.185302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.185302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.185302 (E_RNA)
where:
Base-Base interactions energy: -67.262
where: short stacking energy: -38.064
Base-Backbone interact. energy: -0.995
local terms energy: -78.927422
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -25.615
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -117.577305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.577305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.577305 (E_RNA)
where:
Base-Base interactions energy: -38.345
where: short stacking energy: -38.345
Base-Backbone interact. energy: -0.206
local terms energy: -79.026758
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -102.873978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.873978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.873978 (E_RNA)
where:
Base-Base interactions energy: -36.817
where: short stacking energy: -29.997
Base-Backbone interact. energy: -0.686
local terms energy: -65.371832
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -13.193
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: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -386.805412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.805412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.805412 (E_RNA)
where:
Base-Base interactions energy: -261.094
where: short stacking energy: -114.946
Base-Backbone interact. energy: -0.646
local terms energy: -125.065088
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -31.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -351.077609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.077609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.077609 (E_RNA)
where:
Base-Base interactions energy: -233.891
where: short stacking energy: -108.807
Base-Backbone interact. energy: -0.620
local terms energy: -116.566253
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -33.628
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: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -366.092719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.092719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.092719 (E_RNA)
where:
Base-Base interactions energy: -236.901
where: short stacking energy: -110.667
Base-Backbone interact. energy: -0.069
local terms energy: -129.122785
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -36.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -301.810646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.810646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.810646 (E_RNA)
where:
Base-Base interactions energy: -187.192
where: short stacking energy: -88.699
Base-Backbone interact. energy: 2.427
local terms energy: -117.045580
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -27.584
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -295.921064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.921064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.921064 (E_RNA)
where:
Base-Base interactions energy: -185.975
where: short stacking energy: -91.715
Base-Backbone interact. energy: -0.602
local terms energy: -109.343740
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -32.655
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: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -278.558810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.558810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.558810 (E_RNA)
where:
Base-Base interactions energy: -171.869
where: short stacking energy: -73.928
Base-Backbone interact. energy: 1.148
local terms energy: -107.838031
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -20.620
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: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -269.103739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.103739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.103739 (E_RNA)
where:
Base-Base interactions energy: -176.292
where: short stacking energy: -72.706
Base-Backbone interact. energy: -0.406
local terms energy: -92.405135
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -10.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -132.119955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.119955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.119955 (E_RNA)
where:
Base-Base interactions energy: -60.535
where: short stacking energy: -33.869
Base-Backbone interact. energy: -0.262
local terms energy: -71.322819
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -132.155769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.155769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.155769 (E_RNA)
where:
Base-Base interactions energy: -65.715
where: short stacking energy: -26.753
Base-Backbone interact. energy: 0.985
local terms energy: -67.425835
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -7.533
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: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -123.017936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.017936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.017936 (E_RNA)
where:
Base-Base interactions energy: -46.853
where: short stacking energy: -23.159
Base-Backbone interact. energy: -0.184
local terms energy: -75.981068
where:
bonds (distance) C4'-P energy: -26.798
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: 6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -372.637061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.637061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.637061 (E_RNA)
where:
Base-Base interactions energy: -240.921
where: short stacking energy: -102.164
Base-Backbone interact. energy: -0.381
local terms energy: -131.335648
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -17.594
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: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -362.673241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.673241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.673241 (E_RNA)
where:
Base-Base interactions energy: -242.321
where: short stacking energy: -100.748
Base-Backbone interact. energy: -0.031
local terms energy: -120.320727
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -26.251
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -29.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -358.481954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.481954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.481954 (E_RNA)
where:
Base-Base interactions energy: -229.893
where: short stacking energy: -112.041
Base-Backbone interact. energy: -0.051
local terms energy: -128.538224
where:
bonds (distance) C4'-P energy: -24.863
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -35.234
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: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -301.320865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.320865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.320865 (E_RNA)
where:
Base-Base interactions energy: -188.222
where: short stacking energy: -84.097
Base-Backbone interact. energy: -0.289
local terms energy: -112.810181
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -281.144478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.144478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.144478 (E_RNA)
where:
Base-Base interactions energy: -168.408
where: short stacking energy: -83.918
Base-Backbone interact. energy: -0.418
local terms energy: -112.318407
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -22.376
tors. eta vs tors. theta energy: -23.005
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: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -285.275723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.275723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.275723 (E_RNA)
where:
Base-Base interactions energy: -188.914
where: short stacking energy: -88.072
Base-Backbone interact. energy: -0.243
local terms energy: -96.118726
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -25.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -258.558977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.558977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.558977 (E_RNA)
where:
Base-Base interactions energy: -165.200
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.282
local terms energy: -93.077206
where:
bonds (distance) C4'-P energy: -20.075
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -129.937910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.937910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.937910 (E_RNA)
where:
Base-Base interactions energy: -52.740
where: short stacking energy: -40.866
Base-Backbone interact. energy: -0.109
local terms energy: -77.088951
where:
bonds (distance) C4'-P energy: -25.332
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -130.407561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.407561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.407561 (E_RNA)
where:
Base-Base interactions energy: -56.095
where: short stacking energy: -45.182
Base-Backbone interact. energy: -0.083
local terms energy: -74.229846
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -142.543610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.543610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.543610 (E_RNA)
where:
Base-Base interactions energy: -65.985
where: short stacking energy: -43.761
Base-Backbone interact. energy: -0.937
local terms energy: -75.621526
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -374.424055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.424055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.424055 (E_RNA)
where:
Base-Base interactions energy: -248.970
where: short stacking energy: -114.514
Base-Backbone interact. energy: -0.195
local terms energy: -125.259306
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -28.440
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -34.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -374.532481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.532481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.532481 (E_RNA)
where:
Base-Base interactions energy: -233.250
where: short stacking energy: -109.157
Base-Backbone interact. energy: -0.006
local terms energy: -141.276050
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -28.758
flat angles P-C4'-P energy: -20.917
tors. eta vs tors. theta energy: -39.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -352.332987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.332987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.332987 (E_RNA)
where:
Base-Base interactions energy: -231.207
where: short stacking energy: -109.543
Base-Backbone interact. energy: -0.056
local terms energy: -121.069487
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -33.289
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: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -305.100241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.100241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.100241 (E_RNA)
where:
Base-Base interactions energy: -192.512
where: short stacking energy: -91.116
Base-Backbone interact. energy: -0.389
local terms energy: -112.199487
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -27.160
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -300.143649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.143649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.143649 (E_RNA)
where:
Base-Base interactions energy: -200.086
where: short stacking energy: -92.499
Base-Backbone interact. energy: 0.695
local terms energy: -100.752052
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -241.352714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.352714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.352714 (E_RNA)
where:
Base-Base interactions energy: -143.670
where: short stacking energy: -72.476
Base-Backbone interact. energy: -1.313
local terms energy: -96.369687
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -16.150
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: 7, replica: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -267.007246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.007246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.007246 (E_RNA)
where:
Base-Base interactions energy: -181.333
where: short stacking energy: -76.147
Base-Backbone interact. energy: -1.222
local terms energy: -84.452257
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -143.538679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.538679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.538679 (E_RNA)
where:
Base-Base interactions energy: -52.374
where: short stacking energy: -48.017
Base-Backbone interact. energy: 0.875
local terms energy: -92.039320
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -26.594
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -133.802229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.802229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.802229 (E_RNA)
where:
Base-Base interactions energy: -64.157
where: short stacking energy: -53.924
Base-Backbone interact. energy: -0.397
local terms energy: -69.248461
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -162.760844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.760844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.760844 (E_RNA)
where:
Base-Base interactions energy: -89.460
where: short stacking energy: -44.414
Base-Backbone interact. energy: -1.818
local terms energy: -71.483035
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -4.909
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: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -381.243605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.243605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.243605 (E_RNA)
where:
Base-Base interactions energy: -256.788
where: short stacking energy: -104.236
Base-Backbone interact. energy: -0.187
local terms energy: -124.268344
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -31.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -363.245475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.245475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.245475 (E_RNA)
where:
Base-Base interactions energy: -235.917
where: short stacking energy: -110.541
Base-Backbone interact. energy: -0.119
local terms energy: -127.209262
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -34.948
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: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -340.719823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.719823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.719823 (E_RNA)
where:
Base-Base interactions energy: -225.073
where: short stacking energy: -96.664
Base-Backbone interact. energy: -0.071
local terms energy: -115.576104
where:
bonds (distance) C4'-P energy: -27.326
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -309.149219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.149219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.149219 (E_RNA)
where:
Base-Base interactions energy: -191.220
where: short stacking energy: -91.985
Base-Backbone interact. energy: -0.998
local terms energy: -116.930973
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -25.073
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -29.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -284.360934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.360934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.360934 (E_RNA)
where:
Base-Base interactions energy: -167.802
where: short stacking energy: -82.418
Base-Backbone interact. energy: -0.098
local terms energy: -116.461319
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -27.418
flat angles C4'-P-C4' energy: -23.793
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -258.124426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.124426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.124426 (E_RNA)
where:
Base-Base interactions energy: -162.285
where: short stacking energy: -73.373
Base-Backbone interact. energy: -0.312
local terms energy: -95.527852
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -15.775
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: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -256.649848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.649848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.649848 (E_RNA)
where:
Base-Base interactions energy: -156.469
where: short stacking energy: -71.823
Base-Backbone interact. energy: 0.860
local terms energy: -101.040721
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -121.856788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.856788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.856788 (E_RNA)
where:
Base-Base interactions energy: -50.909
where: short stacking energy: -46.140
Base-Backbone interact. energy: -0.492
local terms energy: -70.456106
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: 2.135
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: 2
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -126.275436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.275436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.275436 (E_RNA)
where:
Base-Base interactions energy: -54.899
where: short stacking energy: -40.164
Base-Backbone interact. energy: -0.430
local terms energy: -70.946956
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: 2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -118.359045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.359045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.359045 (E_RNA)
where:
Base-Base interactions energy: -38.710
where: short stacking energy: -38.547
Base-Backbone interact. energy: 0.009
local terms energy: -79.658655
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -364.167954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.167954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.167954 (E_RNA)
where:
Base-Base interactions energy: -246.497
where: short stacking energy: -109.189
Base-Backbone interact. energy: -0.018
local terms energy: -117.653923
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -31.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -350.448823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.448823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.448823 (E_RNA)
where:
Base-Base interactions energy: -235.520
where: short stacking energy: -106.704
Base-Backbone interact. energy: -0.267
local terms energy: -114.661336
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: -30.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -297.573961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.573961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.573961 (E_RNA)
where:
Base-Base interactions energy: -180.731
where: short stacking energy: -93.396
Base-Backbone interact. energy: -0.699
local terms energy: -116.144083
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -25.265
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: -24.488
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: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -322.406396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.406396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.406396 (E_RNA)
where:
Base-Base interactions energy: -202.267
where: short stacking energy: -95.222
Base-Backbone interact. energy: -0.207
local terms energy: -119.932975
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -27.110
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -33.150
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: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -278.286755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.286755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.286755 (E_RNA)
where:
Base-Base interactions energy: -183.458
where: short stacking energy: -85.401
Base-Backbone interact. energy: -0.082
local terms energy: -94.746856
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -22.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -262.561764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.561764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.561764 (E_RNA)
where:
Base-Base interactions energy: -165.186
where: short stacking energy: -69.593
Base-Backbone interact. energy: 0.707
local terms energy: -98.082924
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -21.860
flat angles C4'-P-C4' energy: -25.566
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -12.085
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: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -258.010468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.010468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.010468 (E_RNA)
where:
Base-Base interactions energy: -169.802
where: short stacking energy: -79.582
Base-Backbone interact. energy: -0.200
local terms energy: -88.007922
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -15.164
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: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -145.655668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.655668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.655668 (E_RNA)
where:
Base-Base interactions energy: -67.367
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.255
local terms energy: -78.033651
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -8.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -143.169113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.169113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.169113 (E_RNA)
where:
Base-Base interactions energy: -69.002
where: short stacking energy: -40.417
Base-Backbone interact. energy: 0.058
local terms energy: -74.225229
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -1.701
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: 121
Temperature: 1.350000
Total energy: -107.246499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.246499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.246499 (E_RNA)
where:
Base-Base interactions energy: -36.074
where: short stacking energy: -33.162
Base-Backbone interact. energy: -0.450
local terms energy: -70.722318
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -363.933300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.933300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.933300 (E_RNA)
where:
Base-Base interactions energy: -243.339
where: short stacking energy: -113.903
Base-Backbone interact. energy: -0.671
local terms energy: -119.923354
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -25.887
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -32.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -353.507980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.507980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.507980 (E_RNA)
where:
Base-Base interactions energy: -237.185
where: short stacking energy: -102.093
Base-Backbone interact. energy: -0.171
local terms energy: -116.151626
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -27.337
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -25.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -318.506578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.506578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.506578 (E_RNA)
where:
Base-Base interactions energy: -195.780
where: short stacking energy: -101.966
Base-Backbone interact. energy: -0.182
local terms energy: -122.544390
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -32.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -312.322825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.322825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.322825 (E_RNA)
where:
Base-Base interactions energy: -195.670
where: short stacking energy: -89.588
Base-Backbone interact. energy: -0.065
local terms energy: -116.588282
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -28.803
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -293.552095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.552095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.552095 (E_RNA)
where:
Base-Base interactions energy: -188.304
where: short stacking energy: -88.926
Base-Backbone interact. energy: 0.109
local terms energy: -105.356252
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -26.758
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: 122
Temperature: 1.150000
Total energy: -267.671471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.671471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.671471 (E_RNA)
where:
Base-Base interactions energy: -169.141
where: short stacking energy: -75.660
Base-Backbone interact. energy: -0.806
local terms energy: -97.724333
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -248.515158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.515158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.515158 (E_RNA)
where:
Base-Base interactions energy: -147.232
where: short stacking energy: -74.377
Base-Backbone interact. energy: -1.265
local terms energy: -100.017722
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -15.003
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: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -127.852545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.852545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.852545 (E_RNA)
where:
Base-Base interactions energy: -41.990
where: short stacking energy: -40.165
Base-Backbone interact. energy: -1.589
local terms energy: -84.274469
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -17.284
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: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -139.339935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.339935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.339935 (E_RNA)
where:
Base-Base interactions energy: -62.570
where: short stacking energy: -41.193
Base-Backbone interact. energy: -0.349
local terms energy: -76.420587
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: 2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -123.692534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.692534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.692534 (E_RNA)
where:
Base-Base interactions energy: -46.481
where: short stacking energy: -36.992
Base-Backbone interact. energy: -0.345
local terms energy: -76.866382
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -365.452582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.452582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.452582 (E_RNA)
where:
Base-Base interactions energy: -236.593
where: short stacking energy: -104.051
Base-Backbone interact. energy: -0.022
local terms energy: -128.837354
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -28.876
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -34.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -316.522204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.522204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.522204 (E_RNA)
where:
Base-Base interactions energy: -201.329
where: short stacking energy: -99.803
Base-Backbone interact. energy: -0.727
local terms energy: -114.465521
where:
bonds (distance) C4'-P energy: -27.522
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -23.823
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: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -350.408239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.408239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.408239 (E_RNA)
where:
Base-Base interactions energy: -233.759
where: short stacking energy: -98.332
Base-Backbone interact. energy: 0.264
local terms energy: -116.913712
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -29.580
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -25.270
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: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -296.538453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.538453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.538453 (E_RNA)
where:
Base-Base interactions energy: -181.751
where: short stacking energy: -88.803
Base-Backbone interact. energy: -0.339
local terms energy: -114.448165
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -12.450
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: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -301.318066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.318066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.318066 (E_RNA)
where:
Base-Base interactions energy: -198.640
where: short stacking energy: -90.813
Base-Backbone interact. energy: -0.448
local terms energy: -102.230303
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -262.551487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.551487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.551487 (E_RNA)
where:
Base-Base interactions energy: -167.401
where: short stacking energy: -72.755
Base-Backbone interact. energy: -0.784
local terms energy: -94.366806
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -26.415
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -255.826824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.826824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.826824 (E_RNA)
where:
Base-Base interactions energy: -152.074
where: short stacking energy: -76.338
Base-Backbone interact. energy: 0.337
local terms energy: -104.089495
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -125.471254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.471254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.471254 (E_RNA)
where:
Base-Base interactions energy: -48.786
where: short stacking energy: -39.395
Base-Backbone interact. energy: -1.036
local terms energy: -75.649208
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -126.109527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.109527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.109527 (E_RNA)
where:
Base-Base interactions energy: -45.151
where: short stacking energy: -36.344
Base-Backbone interact. energy: -0.597
local terms energy: -80.360773
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -10.435
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: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -118.011189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.011189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.011189 (E_RNA)
where:
Base-Base interactions energy: -48.629
where: short stacking energy: -37.089
Base-Backbone interact. energy: 0.281
local terms energy: -69.662581
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: 0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -388.192759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.192759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.192759 (E_RNA)
where:
Base-Base interactions energy: -260.999
where: short stacking energy: -110.030
Base-Backbone interact. energy: -0.216
local terms energy: -126.977511
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -31.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -344.849003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.849003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.849003 (E_RNA)
where:
Base-Base interactions energy: -218.718
where: short stacking energy: -106.797
Base-Backbone interact. energy: -0.407
local terms energy: -125.724241
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -24.965
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -17.859
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: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -338.686749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.686749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.686749 (E_RNA)
where:
Base-Base interactions energy: -230.817
where: short stacking energy: -115.658
Base-Backbone interact. energy: -0.617
local terms energy: -107.252308
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -33.135
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: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -301.961583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.961583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.961583 (E_RNA)
where:
Base-Base interactions energy: -199.460
where: short stacking energy: -97.696
Base-Backbone interact. energy: -0.469
local terms energy: -102.031637
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -26.918
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: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -296.901555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.901555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.901555 (E_RNA)
where:
Base-Base interactions energy: -182.327
where: short stacking energy: -82.198
Base-Backbone interact. energy: -0.089
local terms energy: -114.485687
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -27.702
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -28.365
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: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -264.329738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.329738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.329738 (E_RNA)
where:
Base-Base interactions energy: -165.641
where: short stacking energy: -77.964
Base-Backbone interact. energy: -0.277
local terms energy: -98.411533
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -245.988783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.988783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.988783 (E_RNA)
where:
Base-Base interactions energy: -153.722
where: short stacking energy: -71.680
Base-Backbone interact. energy: -0.376
local terms energy: -91.890522
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -184.110266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.110266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.110266 (E_RNA)
where:
Base-Base interactions energy: -98.979
where: short stacking energy: -61.358
Base-Backbone interact. energy: 0.256
local terms energy: -85.387818
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -123.031967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.031967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.031967 (E_RNA)
where:
Base-Base interactions energy: -54.987
where: short stacking energy: -36.722
Base-Backbone interact. energy: 0.291
local terms energy: -68.336640
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: 1.777
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: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -105.770813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.770813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.770813 (E_RNA)
where:
Base-Base interactions energy: -29.636
where: short stacking energy: -22.730
Base-Backbone interact. energy: -1.054
local terms energy: -75.081059
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: 0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -382.867723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.867723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.867723 (E_RNA)
where:
Base-Base interactions energy: -250.324
where: short stacking energy: -112.248
Base-Backbone interact. energy: -0.342
local terms energy: -132.202068
where:
bonds (distance) C4'-P energy: -24.281
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -27.107
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -35.940
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: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -328.612380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.612380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.612380 (E_RNA)
where:
Base-Base interactions energy: -210.517
where: short stacking energy: -92.550
Base-Backbone interact. energy: -0.255
local terms energy: -117.840744
where:
bonds (distance) C4'-P energy: -25.440
bonds (distance) P-C4' energy: -22.758
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -19.584
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: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -320.260310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.260310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.260310 (E_RNA)
where:
Base-Base interactions energy: -218.674
where: short stacking energy: -99.469
Base-Backbone interact. energy: -0.579
local terms energy: -101.007330
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -28.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -308.182077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.182077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.182077 (E_RNA)
where:
Base-Base interactions energy: -202.401
where: short stacking energy: -104.204
Base-Backbone interact. energy: 0.486
local terms energy: -106.266914
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -24.927
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -23.050
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: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -267.674938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.674938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.674938 (E_RNA)
where:
Base-Base interactions energy: -157.006
where: short stacking energy: -73.777
Base-Backbone interact. energy: -0.993
local terms energy: -109.675898
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -18.834
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: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -249.789003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.789003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.789003 (E_RNA)
where:
Base-Base interactions energy: -148.854
where: short stacking energy: -67.815
Base-Backbone interact. energy: -0.094
local terms energy: -100.841691
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -27.752
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -19.758
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: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -267.932704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.932704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.932704 (E_RNA)
where:
Base-Base interactions energy: -178.839
where: short stacking energy: -84.562
Base-Backbone interact. energy: -0.276
local terms energy: -88.818050
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -192.171674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.171674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.171674 (E_RNA)
where:
Base-Base interactions energy: -116.921
where: short stacking energy: -55.081
Base-Backbone interact. energy: -0.115
local terms energy: -75.136018
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -108.546361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.546361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.546361 (E_RNA)
where:
Base-Base interactions energy: -33.722
where: short stacking energy: -33.450
Base-Backbone interact. energy: -0.185
local terms energy: -74.639104
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: 1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -113.484041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.484041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.484041 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -31.797
Base-Backbone interact. energy: -0.234
local terms energy: -72.593239
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: 4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -379.840982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.840982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.840982 (E_RNA)
where:
Base-Base interactions energy: -248.360
where: short stacking energy: -106.857
Base-Backbone interact. energy: -0.606
local terms energy: -130.874509
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -24.994
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -33.777
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: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -337.158227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.158227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.158227 (E_RNA)
where:
Base-Base interactions energy: -218.349
where: short stacking energy: -85.192
Base-Backbone interact. energy: -1.090
local terms energy: -117.719810
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -29.285
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -19.100
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: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -327.631967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.631967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.631967 (E_RNA)
where:
Base-Base interactions energy: -218.905
where: short stacking energy: -97.352
Base-Backbone interact. energy: -1.573
local terms energy: -107.154011
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -22.632
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -28.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -285.474560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.474560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.474560 (E_RNA)
where:
Base-Base interactions energy: -173.859
where: short stacking energy: -89.946
Base-Backbone interact. energy: -0.072
local terms energy: -111.542940
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -24.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -286.870064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.870064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.870064 (E_RNA)
where:
Base-Base interactions energy: -184.496
where: short stacking energy: -78.053
Base-Backbone interact. energy: -0.456
local terms energy: -101.917654
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -9.705
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: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -260.783781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.783781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.783781 (E_RNA)
where:
Base-Base interactions energy: -155.731
where: short stacking energy: -69.748
Base-Backbone interact. energy: -0.668
local terms energy: -104.384953
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -29.090
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -21.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -275.858101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.858101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.858101 (E_RNA)
where:
Base-Base interactions energy: -182.155
where: short stacking energy: -77.227
Base-Backbone interact. energy: -0.716
local terms energy: -92.987629
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -211.007687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.007687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.007687 (E_RNA)
where:
Base-Base interactions energy: -124.506
where: short stacking energy: -63.739
Base-Backbone interact. energy: 0.408
local terms energy: -86.909602
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -158.661707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.661707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.661707 (E_RNA)
where:
Base-Base interactions energy: -82.985
where: short stacking energy: -42.639
Base-Backbone interact. energy: -0.821
local terms energy: -74.856268
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: 3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -125.707430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.707430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.707430 (E_RNA)
where:
Base-Base interactions energy: -50.708
where: short stacking energy: -32.766
Base-Backbone interact. energy: -0.838
local terms energy: -74.161560
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -28.588
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -370.636921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.636921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.636921 (E_RNA)
where:
Base-Base interactions energy: -234.588
where: short stacking energy: -111.148
Base-Backbone interact. energy: -0.030
local terms energy: -136.018399
where:
bonds (distance) C4'-P energy: -26.097
bonds (distance) P-C4' energy: -25.286
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -36.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -336.264798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.264798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.264798 (E_RNA)
where:
Base-Base interactions energy: -226.912
where: short stacking energy: -109.004
Base-Backbone interact. energy: -0.035
local terms energy: -109.317386
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -30.219
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: 127
Temperature: 1.000000
Total energy: -328.273476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.273476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.273476 (E_RNA)
where:
Base-Base interactions energy: -209.724
where: short stacking energy: -108.850
Base-Backbone interact. energy: -0.440
local terms energy: -118.109083
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -31.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -293.564715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.564715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.564715 (E_RNA)
where:
Base-Base interactions energy: -178.991
where: short stacking energy: -82.706
Base-Backbone interact. energy: 0.154
local terms energy: -114.728006
where:
bonds (distance) C4'-P energy: -25.593
bonds (distance) P-C4' energy: -25.563
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -32.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -275.662718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.662718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.662718 (E_RNA)
where:
Base-Base interactions energy: -167.220
where: short stacking energy: -63.833
Base-Backbone interact. energy: -0.360
local terms energy: -108.082907
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -27.279
flat angles C4'-P-C4' energy: -27.248
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -284.749784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.749784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.749784 (E_RNA)
where:
Base-Base interactions energy: -175.888
where: short stacking energy: -75.664
Base-Backbone interact. energy: 0.169
local terms energy: -109.030671
where:
bonds (distance) C4'-P energy: -23.975
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -282.090484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.090484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.090484 (E_RNA)
where:
Base-Base interactions energy: -173.296
where: short stacking energy: -82.477
Base-Backbone interact. energy: -0.227
local terms energy: -108.567105
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -17.031
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: 8, replica: 3
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -225.689679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.689679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.689679 (E_RNA)
where:
Base-Base interactions energy: -140.459
where: short stacking energy: -69.617
Base-Backbone interact. energy: -0.068
local terms energy: -85.162837
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -160.696663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.696663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.696663 (E_RNA)
where:
Base-Base interactions energy: -84.988
where: short stacking energy: -41.821
Base-Backbone interact. energy: 2.315
local terms energy: -78.023947
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -117.368900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.368900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.368900 (E_RNA)
where:
Base-Base interactions energy: -34.702
where: short stacking energy: -31.789
Base-Backbone interact. energy: -0.243
local terms energy: -82.424468
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -20.906
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -362.297057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.297057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.297057 (E_RNA)
where:
Base-Base interactions energy: -237.415
where: short stacking energy: -93.112
Base-Backbone interact. energy: 0.279
local terms energy: -125.160996
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -29.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -320.807806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.807806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.807806 (E_RNA)
where:
Base-Base interactions energy: -201.550
where: short stacking energy: -99.287
Base-Backbone interact. energy: -0.003
local terms energy: -119.255321
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -28.098
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -27.821
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: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -328.741046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.741046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.741046 (E_RNA)
where:
Base-Base interactions energy: -200.729
where: short stacking energy: -100.392
Base-Backbone interact. energy: -0.546
local terms energy: -127.466457
where:
bonds (distance) C4'-P energy: -26.772
bonds (distance) P-C4' energy: -27.007
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -32.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -297.420692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.420692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.420692 (E_RNA)
where:
Base-Base interactions energy: -192.628
where: short stacking energy: -97.327
Base-Backbone interact. energy: -0.003
local terms energy: -104.789444
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -27.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -295.162529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.162529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.162529 (E_RNA)
where:
Base-Base interactions energy: -194.082
where: short stacking energy: -83.251
Base-Backbone interact. energy: -0.511
local terms energy: -100.569415
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -23.054
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: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -258.067081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.067081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.067081 (E_RNA)
where:
Base-Base interactions energy: -162.545
where: short stacking energy: -71.709
Base-Backbone interact. energy: -1.329
local terms energy: -94.192944
where:
bonds (distance) C4'-P energy: -23.850
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -14.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -255.576788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.576788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.576788 (E_RNA)
where:
Base-Base interactions energy: -160.543
where: short stacking energy: -81.736
Base-Backbone interact. energy: -0.388
local terms energy: -94.645550
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -254.846063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.846063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.846063 (E_RNA)
where:
Base-Base interactions energy: -160.679
where: short stacking energy: -71.405
Base-Backbone interact. energy: 0.539
local terms energy: -94.705489
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -27.761
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -192.606776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.606776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.606776 (E_RNA)
where:
Base-Base interactions energy: -115.931
where: short stacking energy: -53.811
Base-Backbone interact. energy: 0.133
local terms energy: -76.808703
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -1.499
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: 128
Temperature: 1.350000
Total energy: -109.672177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.672177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.672177 (E_RNA)
where:
Base-Base interactions energy: -34.848
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.149
local terms energy: -74.674967
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: 2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -383.659072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.659072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.659072 (E_RNA)
where:
Base-Base interactions energy: -257.597
where: short stacking energy: -110.331
Base-Backbone interact. energy: -0.528
local terms energy: -125.534062
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -26.235
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -34.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -329.230520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.230520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.230520 (E_RNA)
where:
Base-Base interactions energy: -212.217
where: short stacking energy: -102.437
Base-Backbone interact. energy: -0.214
local terms energy: -116.799015
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -25.861
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -31.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -316.722672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.722672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.722672 (E_RNA)
where:
Base-Base interactions energy: -205.059
where: short stacking energy: -83.369
Base-Backbone interact. energy: -0.488
local terms energy: -111.176106
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -27.130
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: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -298.589191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.589191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.589191 (E_RNA)
where:
Base-Base interactions energy: -188.058
where: short stacking energy: -94.633
Base-Backbone interact. energy: -0.033
local terms energy: -110.498382
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -18.778
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: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -273.664102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.664102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.664102 (E_RNA)
where:
Base-Base interactions energy: -167.807
where: short stacking energy: -81.142
Base-Backbone interact. energy: -0.022
local terms energy: -105.835049
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -23.919
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -249.998324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.998324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.998324 (E_RNA)
where:
Base-Base interactions energy: -150.358
where: short stacking energy: -54.623
Base-Backbone interact. energy: -0.280
local terms energy: -99.360605
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -262.595769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.595769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.595769 (E_RNA)
where:
Base-Base interactions energy: -159.057
where: short stacking energy: -69.804
Base-Backbone interact. energy: -0.118
local terms energy: -103.421310
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -23.706
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: 129
Temperature: 1.250000
Total energy: -251.522602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.522602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.522602 (E_RNA)
where:
Base-Base interactions energy: -156.916
where: short stacking energy: -71.590
Base-Backbone interact. energy: -1.055
local terms energy: -93.551794
where:
bonds (distance) C4'-P energy: -23.361
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -12.273
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: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -167.945618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.945618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.945618 (E_RNA)
where:
Base-Base interactions energy: -87.870
where: short stacking energy: -45.065
Base-Backbone interact. energy: -0.327
local terms energy: -79.747992
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -129.448120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.448120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.448120 (E_RNA)
where:
Base-Base interactions energy: -67.754
where: short stacking energy: -27.371
Base-Backbone interact. energy: 3.122
local terms energy: -64.816496
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: 4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -369.190116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.190116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.190116 (E_RNA)
where:
Base-Base interactions energy: -235.310
where: short stacking energy: -100.675
Base-Backbone interact. energy: -0.074
local terms energy: -133.806139
where:
bonds (distance) C4'-P energy: -26.413
bonds (distance) P-C4' energy: -28.634
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -31.948
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: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -321.810370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.810370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.810370 (E_RNA)
where:
Base-Base interactions energy: -209.298
where: short stacking energy: -105.365
Base-Backbone interact. energy: -0.709
local terms energy: -111.803761
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -33.025
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: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -321.104699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.104699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.104699 (E_RNA)
where:
Base-Base interactions energy: -200.107
where: short stacking energy: -96.450
Base-Backbone interact. energy: -0.749
local terms energy: -120.249210
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -26.917
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -27.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -305.143176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.143176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.143176 (E_RNA)
where:
Base-Base interactions energy: -198.422
where: short stacking energy: -80.091
Base-Backbone interact. energy: -0.307
local terms energy: -106.413966
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -23.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -296.173491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.173491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.173491 (E_RNA)
where:
Base-Base interactions energy: -181.232
where: short stacking energy: -84.231
Base-Backbone interact. energy: -0.255
local terms energy: -114.685905
where:
bonds (distance) C4'-P energy: -26.403
bonds (distance) P-C4' energy: -26.844
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -22.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -251.124925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.124925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.124925 (E_RNA)
where:
Base-Base interactions energy: -151.636
where: short stacking energy: -74.170
Base-Backbone interact. energy: 0.418
local terms energy: -99.907659
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -257.642823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.642823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.642823 (E_RNA)
where:
Base-Base interactions energy: -162.723
where: short stacking energy: -79.112
Base-Backbone interact. energy: -0.535
local terms energy: -94.384660
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -259.185315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.185315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.185315 (E_RNA)
where:
Base-Base interactions energy: -158.829
where: short stacking energy: -80.545
Base-Backbone interact. energy: -0.563
local terms energy: -99.792719
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -119.499962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.499962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.499962 (E_RNA)
where:
Base-Base interactions energy: -38.646
where: short stacking energy: -26.179
Base-Backbone interact. energy: 0.138
local terms energy: -80.991596
where:
bonds (distance) C4'-P energy: -23.694
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -121.789096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.789096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.789096 (E_RNA)
where:
Base-Base interactions energy: -47.957
where: short stacking energy: -24.322
Base-Backbone interact. energy: -0.350
local terms energy: -73.482645
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -9.109
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: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -364.667628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.667628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.667628 (E_RNA)
where:
Base-Base interactions energy: -248.940
where: short stacking energy: -94.570
Base-Backbone interact. energy: -0.126
local terms energy: -115.601633
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -18.041
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: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -320.765887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.765887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.765887 (E_RNA)
where:
Base-Base interactions energy: -204.605
where: short stacking energy: -106.477
Base-Backbone interact. energy: -0.749
local terms energy: -115.412397
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -31.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -316.577454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.577454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.577454 (E_RNA)
where:
Base-Base interactions energy: -196.492
where: short stacking energy: -96.642
Base-Backbone interact. energy: -0.218
local terms energy: -119.867178
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -18.674
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: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -310.430153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.430153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.430153 (E_RNA)
where:
Base-Base interactions energy: -216.766
where: short stacking energy: -91.640
Base-Backbone interact. energy: 0.101
local terms energy: -93.764381
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -22.708
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: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -282.739424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.739424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.739424 (E_RNA)
where:
Base-Base interactions energy: -181.244
where: short stacking energy: -95.502
Base-Backbone interact. energy: -0.054
local terms energy: -101.441684
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -21.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -276.826163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.826163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.826163 (E_RNA)
where:
Base-Base interactions energy: -180.901
where: short stacking energy: -83.403
Base-Backbone interact. energy: -0.603
local terms energy: -95.322049
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -268.111821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.111821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.111821 (E_RNA)
where:
Base-Base interactions energy: -170.501
where: short stacking energy: -74.093
Base-Backbone interact. energy: -0.252
local terms energy: -97.358760
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -249.490084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.490084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.490084 (E_RNA)
where:
Base-Base interactions energy: -154.543
where: short stacking energy: -77.211
Base-Backbone interact. energy: -0.294
local terms energy: -94.652871
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -120.062713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.062713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.062713 (E_RNA)
where:
Base-Base interactions energy: -37.089
where: short stacking energy: -32.999
Base-Backbone interact. energy: 0.831
local terms energy: -83.805100
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -118.094206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.094206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.094206 (E_RNA)
where:
Base-Base interactions energy: -47.780
where: short stacking energy: -38.238
Base-Backbone interact. energy: -0.782
local terms energy: -69.531860
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -383.232383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.232383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.232383 (E_RNA)
where:
Base-Base interactions energy: -256.585
where: short stacking energy: -102.804
Base-Backbone interact. energy: -0.543
local terms energy: -126.105157
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -26.733
flat angles P-C4'-P energy: -18.216
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: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -320.764886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.764886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.764886 (E_RNA)
where:
Base-Base interactions energy: -201.626
where: short stacking energy: -101.694
Base-Backbone interact. energy: -0.400
local terms energy: -118.738696
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -27.596
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -31.051
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: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -326.061008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.061008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.061008 (E_RNA)
where:
Base-Base interactions energy: -208.694
where: short stacking energy: -96.911
Base-Backbone interact. energy: -0.007
local terms energy: -117.360096
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -26.154
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -28.738
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: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -290.261328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.261328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.261328 (E_RNA)
where:
Base-Base interactions energy: -190.537
where: short stacking energy: -70.593
Base-Backbone interact. energy: -0.593
local terms energy: -99.131554
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -25.192
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -284.245074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.245074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.245074 (E_RNA)
where:
Base-Base interactions energy: -188.374
where: short stacking energy: -87.772
Base-Backbone interact. energy: -0.077
local terms energy: -95.794275
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -259.648027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.648027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.648027 (E_RNA)
where:
Base-Base interactions energy: -155.572
where: short stacking energy: -77.179
Base-Backbone interact. energy: -0.309
local terms energy: -103.766693
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -249.460989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.460989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.460989 (E_RNA)
where:
Base-Base interactions energy: -160.566
where: short stacking energy: -72.669
Base-Backbone interact. energy: -0.080
local terms energy: -88.814533
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -26.769
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -236.789831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.789831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.789831 (E_RNA)
where:
Base-Base interactions energy: -143.346
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.306
local terms energy: -93.137478
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -10.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -115.416711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.416711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.416711 (E_RNA)
where:
Base-Base interactions energy: -39.066
where: short stacking energy: -37.689
Base-Backbone interact. energy: -0.755
local terms energy: -75.596612
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -106.277851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.277851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.277851 (E_RNA)
where:
Base-Base interactions energy: -31.481
where: short stacking energy: -28.224
Base-Backbone interact. energy: 0.540
local terms energy: -75.336836
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: 9.383
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: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -366.063863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.063863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.063863 (E_RNA)
where:
Base-Base interactions energy: -251.951
where: short stacking energy: -106.479
Base-Backbone interact. energy: -0.206
local terms energy: -113.907231
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -10.934
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: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -323.519424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.519424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.519424 (E_RNA)
where:
Base-Base interactions energy: -197.328
where: short stacking energy: -97.679
Base-Backbone interact. energy: -0.045
local terms energy: -126.145968
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -29.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -323.325730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.325730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.325730 (E_RNA)
where:
Base-Base interactions energy: -196.421
where: short stacking energy: -94.908
Base-Backbone interact. energy: -0.001
local terms energy: -126.903942
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -28.256
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -27.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -286.923066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.923066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.923066 (E_RNA)
where:
Base-Base interactions energy: -182.755
where: short stacking energy: -79.066
Base-Backbone interact. energy: -0.450
local terms energy: -103.717543
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -25.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -288.076523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.076523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.076523 (E_RNA)
where:
Base-Base interactions energy: -180.757
where: short stacking energy: -60.033
Base-Backbone interact. energy: -1.440
local terms energy: -105.879315
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -280.359659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.359659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.359659 (E_RNA)
where:
Base-Base interactions energy: -174.109
where: short stacking energy: -80.983
Base-Backbone interact. energy: -0.713
local terms energy: -105.537987
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -24.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -267.472539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.472539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.472539 (E_RNA)
where:
Base-Base interactions energy: -162.088
where: short stacking energy: -78.833
Base-Backbone interact. energy: -0.048
local terms energy: -105.336973
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -24.604
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -233.823442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.823442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.823442 (E_RNA)
where:
Base-Base interactions energy: -146.630
where: short stacking energy: -57.744
Base-Backbone interact. energy: -0.971
local terms energy: -86.222306
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -8.661
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: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -115.809279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.809279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.809279 (E_RNA)
where:
Base-Base interactions energy: -35.684
where: short stacking energy: -30.027
Base-Backbone interact. energy: -0.840
local terms energy: -79.284570
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -118.316674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.316674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.316674 (E_RNA)
where:
Base-Base interactions energy: -53.798
where: short stacking energy: -46.187
Base-Backbone interact. energy: 0.986
local terms energy: -65.504117
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -350.935824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.935824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.935824 (E_RNA)
where:
Base-Base interactions energy: -220.420
where: short stacking energy: -110.025
Base-Backbone interact. energy: -0.162
local terms energy: -130.354493
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -25.006
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -35.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -361.589501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.589501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.589501 (E_RNA)
where:
Base-Base interactions energy: -238.170
where: short stacking energy: -102.608
Base-Backbone interact. energy: -0.196
local terms energy: -123.223848
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -32.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -317.266782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.266782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.266782 (E_RNA)
where:
Base-Base interactions energy: -200.456
where: short stacking energy: -109.795
Base-Backbone interact. energy: -0.030
local terms energy: -116.780951
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -28.992
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: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -290.936787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.936787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.936787 (E_RNA)
where:
Base-Base interactions energy: -183.037
where: short stacking energy: -74.468
Base-Backbone interact. energy: -1.349
local terms energy: -106.550284
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -25.196
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -282.702560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.702560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.702560 (E_RNA)
where:
Base-Base interactions energy: -178.604
where: short stacking energy: -91.435
Base-Backbone interact. energy: 0.874
local terms energy: -104.971585
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -260.422591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.422591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.422591 (E_RNA)
where:
Base-Base interactions energy: -167.271
where: short stacking energy: -71.190
Base-Backbone interact. energy: -0.735
local terms energy: -92.416453
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -12.805
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: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -264.951394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.951394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.951394 (E_RNA)
where:
Base-Base interactions energy: -163.901
where: short stacking energy: -78.960
Base-Backbone interact. energy: -0.038
local terms energy: -101.012544
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -20.850
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: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -235.195715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.195715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.195715 (E_RNA)
where:
Base-Base interactions energy: -141.244
where: short stacking energy: -71.813
Base-Backbone interact. energy: -0.143
local terms energy: -93.809137
where:
bonds (distance) C4'-P energy: -27.054
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -124.742416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.742416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.742416 (E_RNA)
where:
Base-Base interactions energy: -45.619
where: short stacking energy: -28.153
Base-Backbone interact. energy: -0.749
local terms energy: -78.374274
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: 1.634
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: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -113.763060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.763060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.763060 (E_RNA)
where:
Base-Base interactions energy: -36.498
where: short stacking energy: -32.827
Base-Backbone interact. energy: 0.178
local terms energy: -77.442358
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -9.554
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: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -341.317914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.317914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.317914 (E_RNA)
where:
Base-Base interactions energy: -212.592
where: short stacking energy: -97.585
Base-Backbone interact. energy: 0.503
local terms energy: -129.229408
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -30.110
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -31.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -355.977746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.977746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.977746 (E_RNA)
where:
Base-Base interactions energy: -230.977
where: short stacking energy: -107.428
Base-Backbone interact. energy: -0.022
local terms energy: -124.978528
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -32.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -316.185390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.185390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.185390 (E_RNA)
where:
Base-Base interactions energy: -197.895
where: short stacking energy: -95.238
Base-Backbone interact. energy: -1.114
local terms energy: -117.176669
where:
bonds (distance) C4'-P energy: -27.124
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -23.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -286.388763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.388763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.388763 (E_RNA)
where:
Base-Base interactions energy: -168.183
where: short stacking energy: -98.219
Base-Backbone interact. energy: -0.310
local terms energy: -117.895353
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -20.778
tors. eta vs tors. theta energy: -28.814
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: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -293.742485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.742485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.742485 (E_RNA)
where:
Base-Base interactions energy: -192.015
where: short stacking energy: -85.125
Base-Backbone interact. energy: -0.721
local terms energy: -101.006306
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -258.174510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.174510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.174510 (E_RNA)
where:
Base-Base interactions energy: -170.442
where: short stacking energy: -63.764
Base-Backbone interact. energy: -0.736
local terms energy: -86.996254
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -4.010
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: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -264.503663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.503663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.503663 (E_RNA)
where:
Base-Base interactions energy: -164.252
where: short stacking energy: -72.225
Base-Backbone interact. energy: 0.058
local terms energy: -100.309854
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -19.534
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: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -208.078384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.078384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.078384 (E_RNA)
where:
Base-Base interactions energy: -126.770
where: short stacking energy: -63.426
Base-Backbone interact. energy: -0.139
local terms energy: -81.168483
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -121.210545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.210545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.210545 (E_RNA)
where:
Base-Base interactions energy: -38.553
where: short stacking energy: -36.823
Base-Backbone interact. energy: 0.799
local terms energy: -83.456550
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -27.807
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -113.293306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.293306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.293306 (E_RNA)
where:
Base-Base interactions energy: -54.318
where: short stacking energy: -28.055
Base-Backbone interact. energy: -0.218
local terms energy: -58.757993
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -26.785
flat angles C4'-P-C4' energy: -6.439
flat angles P-C4'-P energy: -3.304
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: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -355.031839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.031839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.031839 (E_RNA)
where:
Base-Base interactions energy: -220.819
where: short stacking energy: -100.463
Base-Backbone interact. energy: -1.150
local terms energy: -133.062618
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -33.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -333.462567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.462567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.462567 (E_RNA)
where:
Base-Base interactions energy: -221.229
where: short stacking energy: -110.471
Base-Backbone interact. energy: 0.335
local terms energy: -112.569076
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -31.499
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: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -295.172985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.172985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.172985 (E_RNA)
where:
Base-Base interactions energy: -180.068
where: short stacking energy: -95.437
Base-Backbone interact. energy: -0.027
local terms energy: -115.077964
where:
bonds (distance) C4'-P energy: -25.352
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -25.572
flat angles P-C4'-P energy: -11.960
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: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -304.234702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.234702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.234702 (E_RNA)
where:
Base-Base interactions energy: -209.098
where: short stacking energy: -80.572
Base-Backbone interact. energy: -0.774
local terms energy: -94.361973
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -278.560189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.560189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.560189 (E_RNA)
where:
Base-Base interactions energy: -179.197
where: short stacking energy: -84.856
Base-Backbone interact. energy: -0.795
local terms energy: -98.568203
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -279.050204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.050204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.050204 (E_RNA)
where:
Base-Base interactions energy: -182.512
where: short stacking energy: -73.926
Base-Backbone interact. energy: 0.917
local terms energy: -97.455256
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -271.915174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.915174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.915174 (E_RNA)
where:
Base-Base interactions energy: -168.836
where: short stacking energy: -82.832
Base-Backbone interact. energy: -0.353
local terms energy: -102.726188
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -26.881
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -10.324
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: 8, replica: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -216.255080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.255080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.255080 (E_RNA)
where:
Base-Base interactions energy: -122.245
where: short stacking energy: -57.943
Base-Backbone interact. energy: -0.170
local terms energy: -93.840143
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -17.878
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: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -140.003297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.003297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.003297 (E_RNA)
where:
Base-Base interactions energy: -65.968
where: short stacking energy: -40.485
Base-Backbone interact. energy: -0.247
local terms energy: -73.788855
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -114.922695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.922695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.922695 (E_RNA)
where:
Base-Base interactions energy: -44.490
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.739
local terms energy: -69.693694
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: 3.036
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: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -372.533693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.533693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.533693 (E_RNA)
where:
Base-Base interactions energy: -239.487
where: short stacking energy: -118.581
Base-Backbone interact. energy: -0.005
local terms energy: -133.041962
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -24.140
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -35.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -324.461972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.461972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.461972 (E_RNA)
where:
Base-Base interactions energy: -209.859
where: short stacking energy: -105.087
Base-Backbone interact. energy: -0.111
local terms energy: -114.492033
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -30.184
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: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -311.155739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.155739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.155739 (E_RNA)
where:
Base-Base interactions energy: -195.729
where: short stacking energy: -105.187
Base-Backbone interact. energy: -0.035
local terms energy: -115.391742
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -24.388
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -32.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -301.606733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.606733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.606733 (E_RNA)
where:
Base-Base interactions energy: -192.576
where: short stacking energy: -92.745
Base-Backbone interact. energy: -0.097
local terms energy: -108.934518
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -27.645
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: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -301.720940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.720940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.720940 (E_RNA)
where:
Base-Base interactions energy: -200.610
where: short stacking energy: -84.758
Base-Backbone interact. energy: -0.086
local terms energy: -101.024376
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -276.940134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.940134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.940134 (E_RNA)
where:
Base-Base interactions energy: -175.501
where: short stacking energy: -79.745
Base-Backbone interact. energy: -0.933
local terms energy: -100.505287
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -268.891999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.891999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.891999 (E_RNA)
where:
Base-Base interactions energy: -174.922
where: short stacking energy: -67.048
Base-Backbone interact. energy: -0.266
local terms energy: -93.704274
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -189.533945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.533945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.533945 (E_RNA)
where:
Base-Base interactions energy: -109.208
where: short stacking energy: -52.450
Base-Backbone interact. energy: -0.842
local terms energy: -79.484498
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -140.719921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.719921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.719921 (E_RNA)
where:
Base-Base interactions energy: -64.023
where: short stacking energy: -43.837
Base-Backbone interact. energy: 0.898
local terms energy: -77.594897
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -128.302281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.302281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.302281 (E_RNA)
where:
Base-Base interactions energy: -55.901
where: short stacking energy: -39.801
Base-Backbone interact. energy: -0.378
local terms energy: -72.023710
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -12.420
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: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -339.361410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.361410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.361410 (E_RNA)
where:
Base-Base interactions energy: -214.809
where: short stacking energy: -98.531
Base-Backbone interact. energy: -0.112
local terms energy: -124.440803
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -25.532
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: -28.567
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: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -351.897255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.897255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.897255 (E_RNA)
where:
Base-Base interactions energy: -236.671
where: short stacking energy: -102.241
Base-Backbone interact. energy: 0.634
local terms energy: -115.859908
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -27.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -317.080974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.080974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.080974 (E_RNA)
where:
Base-Base interactions energy: -203.255
where: short stacking energy: -96.681
Base-Backbone interact. energy: 0.452
local terms energy: -114.277243
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -26.319
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -25.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -301.153931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.153931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.153931 (E_RNA)
where:
Base-Base interactions energy: -190.204
where: short stacking energy: -87.967
Base-Backbone interact. energy: -0.107
local terms energy: -110.842421
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -284.407935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.407935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.407935 (E_RNA)
where:
Base-Base interactions energy: -176.395
where: short stacking energy: -88.144
Base-Backbone interact. energy: -0.104
local terms energy: -107.909160
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -27.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -267.867109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.867109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.867109 (E_RNA)
where:
Base-Base interactions energy: -172.385
where: short stacking energy: -81.422
Base-Backbone interact. energy: -0.348
local terms energy: -95.133731
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -277.065107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.065107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.065107 (E_RNA)
where:
Base-Base interactions energy: -181.821
where: short stacking energy: -75.113
Base-Backbone interact. energy: -0.197
local terms energy: -95.047333
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -190.593546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.593546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.593546 (E_RNA)
where:
Base-Base interactions energy: -115.881
where: short stacking energy: -53.948
Base-Backbone interact. energy: -0.719
local terms energy: -73.993387
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -5.812
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: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -115.171292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.171292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.171292 (E_RNA)
where:
Base-Base interactions energy: -38.750
where: short stacking energy: -31.966
Base-Backbone interact. energy: -0.399
local terms energy: -76.022677
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -29.022
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -110.036156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.036156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.036156 (E_RNA)
where:
Base-Base interactions energy: -36.548
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.568
local terms energy: -72.920788
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: 1.268
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: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -335.182617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.182617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.182617 (E_RNA)
where:
Base-Base interactions energy: -209.796
where: short stacking energy: -92.193
Base-Backbone interact. energy: -0.771
local terms energy: -124.615319
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -26.316
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -25.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -359.990650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.990650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.990650 (E_RNA)
where:
Base-Base interactions energy: -238.998
where: short stacking energy: -105.873
Base-Backbone interact. energy: -3.106
local terms energy: -117.885930
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -26.073
flat angles P-C4'-P energy: -14.425
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: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -298.938593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.938593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.938593 (E_RNA)
where:
Base-Base interactions energy: -203.550
where: short stacking energy: -85.148
Base-Backbone interact. energy: 1.583
local terms energy: -96.971936
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -297.508630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.508630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.508630 (E_RNA)
where:
Base-Base interactions energy: -188.155
where: short stacking energy: -94.481
Base-Backbone interact. energy: -0.746
local terms energy: -108.607818
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -20.165
tors. eta vs tors. theta energy: -22.698
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: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -285.028920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.028920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.028920 (E_RNA)
where:
Base-Base interactions energy: -189.055
where: short stacking energy: -78.584
Base-Backbone interact. energy: 0.894
local terms energy: -96.867923
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -23.164
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: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -275.994043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.994043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.994043 (E_RNA)
where:
Base-Base interactions energy: -182.351
where: short stacking energy: -75.908
Base-Backbone interact. energy: -0.663
local terms energy: -92.980149
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -250.711194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.711194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.711194 (E_RNA)
where:
Base-Base interactions energy: -167.783
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.657
local terms energy: -82.271464
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -200.553265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.553265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.553265 (E_RNA)
where:
Base-Base interactions energy: -126.239
where: short stacking energy: -69.070
Base-Backbone interact. energy: -0.122
local terms energy: -74.192065
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -12.543
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: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -115.487550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.487550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.487550 (E_RNA)
where:
Base-Base interactions energy: -36.366
where: short stacking energy: -26.305
Base-Backbone interact. energy: -1.340
local terms energy: -77.780923
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: 0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -119.925698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.925698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.925698 (E_RNA)
where:
Base-Base interactions energy: -49.110
where: short stacking energy: -43.574
Base-Backbone interact. energy: -0.504
local terms energy: -70.311548
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -2.383
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: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -369.806220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.806220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.806220 (E_RNA)
where:
Base-Base interactions energy: -245.483
where: short stacking energy: -115.638
Base-Backbone interact. energy: -0.546
local terms energy: -123.777680
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -33.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -346.870206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.870206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.870206 (E_RNA)
where:
Base-Base interactions energy: -217.484
where: short stacking energy: -100.851
Base-Backbone interact. energy: -0.014
local terms energy: -129.372750
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -29.558
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -33.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -292.291815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.291815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.291815 (E_RNA)
where:
Base-Base interactions energy: -180.301
where: short stacking energy: -87.700
Base-Backbone interact. energy: -0.059
local terms energy: -111.931535
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -315.826724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.826724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.826724 (E_RNA)
where:
Base-Base interactions energy: -200.436
where: short stacking energy: -97.012
Base-Backbone interact. energy: -0.021
local terms energy: -115.369311
where:
bonds (distance) C4'-P energy: -25.577
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -25.237
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -30.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -292.566663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.566663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.566663 (E_RNA)
where:
Base-Base interactions energy: -193.789
where: short stacking energy: -78.612
Base-Backbone interact. energy: -0.134
local terms energy: -98.644204
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -271.208546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.208546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.208546 (E_RNA)
where:
Base-Base interactions energy: -154.721
where: short stacking energy: -71.560
Base-Backbone interact. energy: 1.696
local terms energy: -118.183105
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -19.201
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -257.810926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.810926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.810926 (E_RNA)
where:
Base-Base interactions energy: -162.892
where: short stacking energy: -68.481
Base-Backbone interact. energy: -1.801
local terms energy: -93.118722
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -12.648
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: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -198.807452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.807452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.807452 (E_RNA)
where:
Base-Base interactions energy: -118.875
where: short stacking energy: -56.141
Base-Backbone interact. energy: -1.211
local terms energy: -78.721333
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -137.115271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.115271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.115271 (E_RNA)
where:
Base-Base interactions energy: -75.193
where: short stacking energy: -35.098
Base-Backbone interact. energy: 1.306
local terms energy: -63.227764
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: 1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -117.615186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.615186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.615186 (E_RNA)
where:
Base-Base interactions energy: -49.973
where: short stacking energy: -39.945
Base-Backbone interact. energy: -0.747
local terms energy: -66.895546
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: 2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -367.635495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.635495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.635495 (E_RNA)
where:
Base-Base interactions energy: -232.624
where: short stacking energy: -122.706
Base-Backbone interact. energy: -0.039
local terms energy: -134.972307
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -34.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -315.083727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.083727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.083727 (E_RNA)
where:
Base-Base interactions energy: -202.546
where: short stacking energy: -109.198
Base-Backbone interact. energy: -1.039
local terms energy: -111.498860
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -322.315269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.315269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.315269 (E_RNA)
where:
Base-Base interactions energy: -198.145
where: short stacking energy: -94.617
Base-Backbone interact. energy: -0.103
local terms energy: -124.067831
where:
bonds (distance) C4'-P energy: -25.136
bonds (distance) P-C4' energy: -26.853
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -33.512
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: 141
Temperature: 1.050000
Total energy: -299.575528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.575528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.575528 (E_RNA)
where:
Base-Base interactions energy: -190.255
where: short stacking energy: -92.654
Base-Backbone interact. energy: -0.095
local terms energy: -109.225927
where:
bonds (distance) C4'-P energy: -23.171
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -25.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -287.389059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.389059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.389059 (E_RNA)
where:
Base-Base interactions energy: -185.613
where: short stacking energy: -81.076
Base-Backbone interact. energy: -1.196
local terms energy: -100.579975
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -26.104
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -16.196
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: 141
Temperature: 1.150000
Total energy: -282.820077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.820077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.820077 (E_RNA)
where:
Base-Base interactions energy: -174.830
where: short stacking energy: -80.795
Base-Backbone interact. energy: -0.238
local terms energy: -107.751737
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -26.094
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -22.527
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: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -255.887637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.887637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.887637 (E_RNA)
where:
Base-Base interactions energy: -157.993
where: short stacking energy: -67.313
Base-Backbone interact. energy: -0.433
local terms energy: -97.461852
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -236.552714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.552714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.552714 (E_RNA)
where:
Base-Base interactions energy: -159.614
where: short stacking energy: -56.166
Base-Backbone interact. energy: -0.285
local terms energy: -76.653870
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -123.138370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.138370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.138370 (E_RNA)
where:
Base-Base interactions energy: -42.371
where: short stacking energy: -14.417
Base-Backbone interact. energy: -0.741
local terms energy: -80.026488
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: 2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -146.182935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.182935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.182935 (E_RNA)
where:
Base-Base interactions energy: -68.981
where: short stacking energy: -38.546
Base-Backbone interact. energy: -0.223
local terms energy: -76.978823
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -3.934
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: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -338.442243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.442243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.442243 (E_RNA)
where:
Base-Base interactions energy: -209.169
where: short stacking energy: -97.753
Base-Backbone interact. energy: -0.009
local terms energy: -129.264237
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -31.886
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: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -357.982821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.982821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.982821 (E_RNA)
where:
Base-Base interactions energy: -236.783
where: short stacking energy: -118.058
Base-Backbone interact. energy: -0.038
local terms energy: -121.161922
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -27.250
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -36.033
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: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -336.257294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.257294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.257294 (E_RNA)
where:
Base-Base interactions energy: -205.142
where: short stacking energy: -88.849
Base-Backbone interact. energy: -0.220
local terms energy: -130.895733
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -32.843
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: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -302.948341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.948341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.948341 (E_RNA)
where:
Base-Base interactions energy: -200.155
where: short stacking energy: -94.760
Base-Backbone interact. energy: -0.061
local terms energy: -102.731478
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -25.845
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: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -283.555232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.555232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.555232 (E_RNA)
where:
Base-Base interactions energy: -176.002
where: short stacking energy: -75.953
Base-Backbone interact. energy: -0.673
local terms energy: -106.879874
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -24.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -266.004179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.004179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.004179 (E_RNA)
where:
Base-Base interactions energy: -171.283
where: short stacking energy: -77.609
Base-Backbone interact. energy: -0.159
local terms energy: -94.561677
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -13.933
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: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -279.210361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.210361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.210361 (E_RNA)
where:
Base-Base interactions energy: -176.223
where: short stacking energy: -76.788
Base-Backbone interact. energy: -0.287
local terms energy: -102.700090
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -246.731547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.731547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.731547 (E_RNA)
where:
Base-Base interactions energy: -147.713
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.506
local terms energy: -98.512519
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -131.620469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.620469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.620469 (E_RNA)
where:
Base-Base interactions energy: -54.809
where: short stacking energy: -38.221
Base-Backbone interact. energy: -0.873
local terms energy: -75.938703
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -127.141379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.141379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.141379 (E_RNA)
where:
Base-Base interactions energy: -46.496
where: short stacking energy: -32.971
Base-Backbone interact. energy: -0.009
local terms energy: -80.636028
where:
bonds (distance) C4'-P energy: -26.458
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -326.416129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.416129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.416129 (E_RNA)
where:
Base-Base interactions energy: -202.889
where: short stacking energy: -95.880
Base-Backbone interact. energy: -0.438
local terms energy: -123.088576
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -26.231
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -26.458
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: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -358.843626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.843626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.843626 (E_RNA)
where:
Base-Base interactions energy: -234.909
where: short stacking energy: -116.424
Base-Backbone interact. energy: 0.788
local terms energy: -124.723333
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -37.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -325.446932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.446932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.446932 (E_RNA)
where:
Base-Base interactions energy: -209.824
where: short stacking energy: -102.811
Base-Backbone interact. energy: -0.005
local terms energy: -115.617975
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -18.105
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: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -315.423685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.423685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.423685 (E_RNA)
where:
Base-Base interactions energy: -190.748
where: short stacking energy: -100.836
Base-Backbone interact. energy: -0.098
local terms energy: -124.577361
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -33.220
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: 5, replica: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -276.628877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.628877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.628877 (E_RNA)
where:
Base-Base interactions energy: -163.660
where: short stacking energy: -84.573
Base-Backbone interact. energy: -0.633
local terms energy: -112.336093
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -26.449
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -276.832111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.832111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.832111 (E_RNA)
where:
Base-Base interactions energy: -183.855
where: short stacking energy: -71.874
Base-Backbone interact. energy: 3.328
local terms energy: -96.305105
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -11.104
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: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -267.849007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.849007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.849007 (E_RNA)
where:
Base-Base interactions energy: -169.129
where: short stacking energy: -61.365
Base-Backbone interact. energy: -0.524
local terms energy: -98.196145
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -256.941454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.941454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.941454 (E_RNA)
where:
Base-Base interactions energy: -167.247
where: short stacking energy: -77.764
Base-Backbone interact. energy: -0.140
local terms energy: -89.554199
where:
bonds (distance) C4'-P energy: -25.558
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -126.795800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.795800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.795800 (E_RNA)
where:
Base-Base interactions energy: -44.653
where: short stacking energy: -38.834
Base-Backbone interact. energy: -0.540
local terms energy: -81.602540
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -23.724
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -111.179915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.179915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.179915 (E_RNA)
where:
Base-Base interactions energy: -37.706
where: short stacking energy: -27.981
Base-Backbone interact. energy: -1.318
local terms energy: -72.155560
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: 1.296
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: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -361.144003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.144003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.144003 (E_RNA)
where:
Base-Base interactions energy: -236.576
where: short stacking energy: -115.694
Base-Backbone interact. energy: -0.143
local terms energy: -124.425638
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -26.548
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -34.433
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: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -324.505489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.505489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.505489 (E_RNA)
where:
Base-Base interactions energy: -207.446
where: short stacking energy: -100.853
Base-Backbone interact. energy: -0.633
local terms energy: -116.426069
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -28.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -326.759644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.759644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.759644 (E_RNA)
where:
Base-Base interactions energy: -194.644
where: short stacking energy: -106.663
Base-Backbone interact. energy: -0.481
local terms energy: -131.634979
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -27.091
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -36.315
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: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -286.783285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.783285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.783285 (E_RNA)
where:
Base-Base interactions energy: -192.206
where: short stacking energy: -83.589
Base-Backbone interact. energy: -0.591
local terms energy: -93.986716
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -27.011
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -295.648437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.648437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.648437 (E_RNA)
where:
Base-Base interactions energy: -198.229
where: short stacking energy: -85.367
Base-Backbone interact. energy: -1.370
local terms energy: -96.049221
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -7.875
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: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -283.065469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.065469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.065469 (E_RNA)
where:
Base-Base interactions energy: -175.562
where: short stacking energy: -79.526
Base-Backbone interact. energy: -0.256
local terms energy: -107.247848
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -27.146
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -19.447
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: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -257.563543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.563543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.563543 (E_RNA)
where:
Base-Base interactions energy: -152.656
where: short stacking energy: -72.953
Base-Backbone interact. energy: -0.099
local terms energy: -104.808495
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -24.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -231.944487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.944487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.944487 (E_RNA)
where:
Base-Base interactions energy: -145.885
where: short stacking energy: -57.305
Base-Backbone interact. energy: -0.957
local terms energy: -85.103406
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -10.320
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: 2
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -142.731064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.731064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.731064 (E_RNA)
where:
Base-Base interactions energy: -52.393
where: short stacking energy: -51.409
Base-Backbone interact. energy: -0.203
local terms energy: -90.135497
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -111.092049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.092049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.092049 (E_RNA)
where:
Base-Base interactions energy: -39.187
where: short stacking energy: -23.325
Base-Backbone interact. energy: -0.384
local terms energy: -71.520454
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: 2.825
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: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -355.206461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.206461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.206461 (E_RNA)
where:
Base-Base interactions energy: -231.676
where: short stacking energy: -117.103
Base-Backbone interact. energy: 0.186
local terms energy: -123.716823
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -30.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -334.781635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.781635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.781635 (E_RNA)
where:
Base-Base interactions energy: -217.159
where: short stacking energy: -108.095
Base-Backbone interact. energy: -0.102
local terms energy: -117.520897
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -26.572
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -28.567
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: 3, replica: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -320.920217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.920217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.920217 (E_RNA)
where:
Base-Base interactions energy: -199.054
where: short stacking energy: -99.818
Base-Backbone interact. energy: -0.003
local terms energy: -121.863220
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -25.909
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -33.261
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: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -303.288634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.288634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.288634 (E_RNA)
where:
Base-Base interactions energy: -195.371
where: short stacking energy: -91.427
Base-Backbone interact. energy: 1.390
local terms energy: -109.308099
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -20.244
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: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -318.274979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.274979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.274979 (E_RNA)
where:
Base-Base interactions energy: -201.752
where: short stacking energy: -91.496
Base-Backbone interact. energy: -0.029
local terms energy: -116.493314
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -26.302
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: 145
Temperature: 1.150000
Total energy: -258.120682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.120682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.120682 (E_RNA)
where:
Base-Base interactions energy: -158.972
where: short stacking energy: -76.228
Base-Backbone interact. energy: 0.977
local terms energy: -100.125708
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -255.155685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.155685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.155685 (E_RNA)
where:
Base-Base interactions energy: -158.605
where: short stacking energy: -72.609
Base-Backbone interact. energy: -0.387
local terms energy: -96.163492
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -237.917887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.917887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.917887 (E_RNA)
where:
Base-Base interactions energy: -144.584
where: short stacking energy: -68.448
Base-Backbone interact. energy: 1.301
local terms energy: -94.635167
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -124.628007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.628007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.628007 (E_RNA)
where:
Base-Base interactions energy: -51.254
where: short stacking energy: -45.020
Base-Backbone interact. energy: -0.078
local terms energy: -73.295887
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -101.817101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.817101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.817101 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -15.889
Base-Backbone interact. energy: -3.618
local terms energy: -62.090628
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: 13.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -365.318852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.318852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.318852 (E_RNA)
where:
Base-Base interactions energy: -234.032
where: short stacking energy: -116.904
Base-Backbone interact. energy: -0.034
local terms energy: -131.252920
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -26.335
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -32.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -327.440636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.440636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.440636 (E_RNA)
where:
Base-Base interactions energy: -207.596
where: short stacking energy: -95.607
Base-Backbone interact. energy: -0.058
local terms energy: -119.786467
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -27.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -320.059999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.059999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.059999 (E_RNA)
where:
Base-Base interactions energy: -208.527
where: short stacking energy: -91.384
Base-Backbone interact. energy: 0.208
local terms energy: -111.740843
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -26.697
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: 146
Temperature: 1.050000
Total energy: -297.927385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.927385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.927385 (E_RNA)
where:
Base-Base interactions energy: -185.905
where: short stacking energy: -85.558
Base-Backbone interact. energy: -1.048
local terms energy: -110.974080
where:
bonds (distance) C4'-P energy: -26.412
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -10.696
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: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -310.592303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.592303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.592303 (E_RNA)
where:
Base-Base interactions energy: -191.064
where: short stacking energy: -92.450
Base-Backbone interact. energy: -0.347
local terms energy: -119.181373
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -27.702
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: 9
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -282.626409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.626409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.626409 (E_RNA)
where:
Base-Base interactions energy: -177.240
where: short stacking energy: -82.522
Base-Backbone interact. energy: -1.170
local terms energy: -104.216305
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -14.549
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: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -244.726999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.726999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.726999 (E_RNA)
where:
Base-Base interactions energy: -139.045
where: short stacking energy: -75.080
Base-Backbone interact. energy: -0.315
local terms energy: -105.367041
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -250.681923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.681923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.681923 (E_RNA)
where:
Base-Base interactions energy: -159.784
where: short stacking energy: -73.222
Base-Backbone interact. energy: -0.143
local terms energy: -90.754911
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -123.459179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.459179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.459179 (E_RNA)
where:
Base-Base interactions energy: -48.871
where: short stacking energy: -42.867
Base-Backbone interact. energy: -0.309
local terms energy: -74.278286
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -106.740540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.740540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.740540 (E_RNA)
where:
Base-Base interactions energy: -49.542
where: short stacking energy: -28.781
Base-Backbone interact. energy: -0.319
local terms energy: -56.878941
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -3.149
tors. eta vs tors. theta energy: 1.735
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: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -371.450005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.450005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.450005 (E_RNA)
where:
Base-Base interactions energy: -242.563
where: short stacking energy: -115.408
Base-Backbone interact. energy: -0.818
local terms energy: -128.068630
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -34.986
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: 147
Temperature: 0.950000
Total energy: -365.155629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.155629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.155629 (E_RNA)
where:
Base-Base interactions energy: -237.500
where: short stacking energy: -100.107
Base-Backbone interact. energy: -0.660
local terms energy: -126.994817
where:
bonds (distance) C4'-P energy: -26.188
bonds (distance) P-C4' energy: -26.046
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -18.620
tors. eta vs tors. theta energy: -31.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -313.942437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.942437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.942437 (E_RNA)
where:
Base-Base interactions energy: -214.208
where: short stacking energy: -85.727
Base-Backbone interact. energy: -0.226
local terms energy: -99.507864
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -18.018
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: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -314.039363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.039363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.039363 (E_RNA)
where:
Base-Base interactions energy: -204.797
where: short stacking energy: -89.456
Base-Backbone interact. energy: -0.108
local terms energy: -109.134718
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -27.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -281.425878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.425878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.425878 (E_RNA)
where:
Base-Base interactions energy: -185.515
where: short stacking energy: -81.716
Base-Backbone interact. energy: 1.980
local terms energy: -97.891088
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -270.186268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.186268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.186268 (E_RNA)
where:
Base-Base interactions energy: -164.787
where: short stacking energy: -78.818
Base-Backbone interact. energy: -0.835
local terms energy: -104.564385
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -22.046
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: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -268.328654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.328654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.328654 (E_RNA)
where:
Base-Base interactions energy: -173.051
where: short stacking energy: -65.113
Base-Backbone interact. energy: 0.088
local terms energy: -95.365837
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -23.537
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -276.988555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.988555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.988555 (E_RNA)
where:
Base-Base interactions energy: -176.570
where: short stacking energy: -81.604
Base-Backbone interact. energy: -0.484
local terms energy: -99.934606
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -27.965
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -19.346
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: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -129.687907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.687907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.687907 (E_RNA)
where:
Base-Base interactions energy: -40.020
where: short stacking energy: -39.428
Base-Backbone interact. energy: 0.463
local terms energy: -90.131309
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -5.432
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: 2
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -122.472559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.472559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.472559 (E_RNA)
where:
Base-Base interactions energy: -60.705
where: short stacking energy: -46.022
Base-Backbone interact. energy: -0.522
local terms energy: -61.245550
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: 0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -369.085770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.085770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.085770 (E_RNA)
where:
Base-Base interactions energy: -232.038
where: short stacking energy: -116.996
Base-Backbone interact. energy: -0.880
local terms energy: -136.167149
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -28.598
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -34.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -355.969614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.969614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.969614 (E_RNA)
where:
Base-Base interactions energy: -236.738
where: short stacking energy: -93.379
Base-Backbone interact. energy: -0.369
local terms energy: -118.862256
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -15.797
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: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -322.578826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.578826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.578826 (E_RNA)
where:
Base-Base interactions energy: -199.276
where: short stacking energy: -92.461
Base-Backbone interact. energy: -0.147
local terms energy: -123.155690
where:
bonds (distance) C4'-P energy: -27.039
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -26.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -291.279081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.279081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.279081 (E_RNA)
where:
Base-Base interactions energy: -193.456
where: short stacking energy: -87.093
Base-Backbone interact. energy: -1.101
local terms energy: -96.721350
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -278.724433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.724433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.724433 (E_RNA)
where:
Base-Base interactions energy: -170.493
where: short stacking energy: -74.553
Base-Backbone interact. energy: -0.157
local terms energy: -108.073934
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -20.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -282.636908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.636908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.636908 (E_RNA)
where:
Base-Base interactions energy: -177.914
where: short stacking energy: -87.398
Base-Backbone interact. energy: -0.195
local terms energy: -104.527661
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -14.138
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: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -277.572655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.572655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.572655 (E_RNA)
where:
Base-Base interactions energy: -180.127
where: short stacking energy: -80.932
Base-Backbone interact. energy: -0.148
local terms energy: -97.297664
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -282.294530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.294530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.294530 (E_RNA)
where:
Base-Base interactions energy: -179.398
where: short stacking energy: -90.954
Base-Backbone interact. energy: -0.017
local terms energy: -102.879462
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -31.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -127.903021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.903021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.903021 (E_RNA)
where:
Base-Base interactions energy: -56.552
where: short stacking energy: -47.337
Base-Backbone interact. energy: -0.395
local terms energy: -70.955666
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -110.330624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.330624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.330624 (E_RNA)
where:
Base-Base interactions energy: -31.734
where: short stacking energy: -25.767
Base-Backbone interact. energy: -0.578
local terms energy: -78.018172
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: 2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -355.865914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.865914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.865914 (E_RNA)
where:
Base-Base interactions energy: -226.542
where: short stacking energy: -107.686
Base-Backbone interact. energy: -0.714
local terms energy: -128.610414
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -28.179
flat angles P-C4'-P energy: -19.659
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: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -369.598869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.598869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.598869 (E_RNA)
where:
Base-Base interactions energy: -241.018
where: short stacking energy: -99.794
Base-Backbone interact. energy: -1.336
local terms energy: -127.244377
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -23.580
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -33.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -323.575636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.575636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.575636 (E_RNA)
where:
Base-Base interactions energy: -216.857
where: short stacking energy: -100.717
Base-Backbone interact. energy: -0.007
local terms energy: -106.711250
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -298.148001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.148001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.148001 (E_RNA)
where:
Base-Base interactions energy: -185.836
where: short stacking energy: -83.465
Base-Backbone interact. energy: -0.502
local terms energy: -111.810354
where:
bonds (distance) C4'-P energy: -25.897
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -15.094
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: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -279.671414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.671414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.671414 (E_RNA)
where:
Base-Base interactions energy: -170.654
where: short stacking energy: -80.760
Base-Backbone interact. energy: -0.005
local terms energy: -109.011826
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -24.037
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -279.683573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.683573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.683573 (E_RNA)
where:
Base-Base interactions energy: -174.283
where: short stacking energy: -78.747
Base-Backbone interact. energy: -0.158
local terms energy: -105.241959
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -14.873
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: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -249.786796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.786796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.786796 (E_RNA)
where:
Base-Base interactions energy: -167.498
where: short stacking energy: -76.909
Base-Backbone interact. energy: -0.648
local terms energy: -81.640586
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -12.501
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: 149
Temperature: 1.250000
Total energy: -248.191102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.191102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.191102 (E_RNA)
where:
Base-Base interactions energy: -164.073
where: short stacking energy: -76.337
Base-Backbone interact. energy: -0.119
local terms energy: -83.999683
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -117.879651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.879651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.879651 (E_RNA)
where:
Base-Base interactions energy: -47.482
where: short stacking energy: -32.769
Base-Backbone interact. energy: -1.031
local terms energy: -69.367072
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: 4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -107.046251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.046251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.046251 (E_RNA)
where:
Base-Base interactions energy: -42.779
where: short stacking energy: -39.437
Base-Backbone interact. energy: 0.700
local terms energy: -64.966865
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -13.481
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: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -380.155377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.155377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.155377 (E_RNA)
where:
Base-Base interactions energy: -254.896
where: short stacking energy: -111.716
Base-Backbone interact. energy: -0.333
local terms energy: -124.926956
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -27.498
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -35.406
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: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -357.508382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.508382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.508382 (E_RNA)
where:
Base-Base interactions energy: -237.461
where: short stacking energy: -112.296
Base-Backbone interact. energy: -0.238
local terms energy: -119.810104
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -27.633
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -30.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -310.109388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.109388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.109388 (E_RNA)
where:
Base-Base interactions energy: -199.879
where: short stacking energy: -92.262
Base-Backbone interact. energy: -0.890
local terms energy: -109.340481
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -19.186
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: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -299.706382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.706382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.706382 (E_RNA)
where:
Base-Base interactions energy: -187.947
where: short stacking energy: -91.933
Base-Backbone interact. energy: -0.481
local terms energy: -111.279086
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -19.199
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: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -292.570887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.570887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.570887 (E_RNA)
where:
Base-Base interactions energy: -171.910
where: short stacking energy: -84.951
Base-Backbone interact. energy: -0.161
local terms energy: -120.500652
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -27.969
flat angles C4'-P-C4' energy: -26.662
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -267.457869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.457869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.457869 (E_RNA)
where:
Base-Base interactions energy: -164.927
where: short stacking energy: -73.130
Base-Backbone interact. energy: -0.223
local terms energy: -102.306981
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -21.791
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -23.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -254.624426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.624426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.624426 (E_RNA)
where:
Base-Base interactions energy: -167.583
where: short stacking energy: -72.579
Base-Backbone interact. energy: -0.350
local terms energy: -86.690736
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -239.681511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.681511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.681511 (E_RNA)
where:
Base-Base interactions energy: -150.043
where: short stacking energy: -60.144
Base-Backbone interact. energy: -0.713
local terms energy: -88.925209
where:
bonds (distance) C4'-P energy: -24.989
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -118.122507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.122507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.122507 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -33.489
Base-Backbone interact. energy: 1.148
local terms energy: -85.685280
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -4.399
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: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -110.721437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.721437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.721437 (E_RNA)
where:
Base-Base interactions energy: -32.004
where: short stacking energy: -30.313
Base-Backbone interact. energy: -1.377
local terms energy: -77.340259
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: 0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -372.679219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.679219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.679219 (E_RNA)
where:
Base-Base interactions energy: -247.550
where: short stacking energy: -114.574
Base-Backbone interact. energy: -0.575
local terms energy: -124.554212
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -29.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -359.787269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.787269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.787269 (E_RNA)
where:
Base-Base interactions energy: -237.456
where: short stacking energy: -111.254
Base-Backbone interact. energy: -1.040
local terms energy: -121.291070
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -32.123
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: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -320.639248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.639248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.639248 (E_RNA)
where:
Base-Base interactions energy: -210.942
where: short stacking energy: -91.473
Base-Backbone interact. energy: -0.213
local terms energy: -109.484398
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -294.131258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.131258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.131258 (E_RNA)
where:
Base-Base interactions energy: -181.940
where: short stacking energy: -68.372
Base-Backbone interact. energy: -0.145
local terms energy: -112.046857
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -286.239104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.239104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.239104 (E_RNA)
where:
Base-Base interactions energy: -172.629
where: short stacking energy: -84.693
Base-Backbone interact. energy: -0.063
local terms energy: -113.546922
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -19.227
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: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -247.255681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.255681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.255681 (E_RNA)
where:
Base-Base interactions energy: -155.164
where: short stacking energy: -63.301
Base-Backbone interact. energy: -0.435
local terms energy: -91.656118
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -264.466930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.466930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.466930 (E_RNA)
where:
Base-Base interactions energy: -167.392
where: short stacking energy: -78.323
Base-Backbone interact. energy: -0.132
local terms energy: -96.943598
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -242.080988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.080988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.080988 (E_RNA)
where:
Base-Base interactions energy: -156.460
where: short stacking energy: -64.308
Base-Backbone interact. energy: 2.586
local terms energy: -88.206810
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -8.778
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: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -116.138470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.138470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.138470 (E_RNA)
where:
Base-Base interactions energy: -37.051
where: short stacking energy: -36.928
Base-Backbone interact. energy: 0.514
local terms energy: -79.601786
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -30.314
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: 7.139
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: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -112.368905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.368905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.368905 (E_RNA)
where:
Base-Base interactions energy: -35.865
where: short stacking energy: -36.465
Base-Backbone interact. energy: -0.307
local terms energy: -76.197250
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -376.078791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.078791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.078791 (E_RNA)
where:
Base-Base interactions energy: -245.121
where: short stacking energy: -109.066
Base-Backbone interact. energy: -0.988
local terms energy: -129.969148
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -28.358
flat angles C4'-P-C4' energy: -30.059
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -37.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -372.578586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.578586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.578586 (E_RNA)
where:
Base-Base interactions energy: -249.323
where: short stacking energy: -109.631
Base-Backbone interact. energy: -1.679
local terms energy: -121.576885
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -32.152
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: 152
Temperature: 1.000000
Total energy: -315.624086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.624086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.624086 (E_RNA)
where:
Base-Base interactions energy: -203.555
where: short stacking energy: -99.732
Base-Backbone interact. energy: -0.113
local terms energy: -111.955591
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -291.247210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.247210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.247210 (E_RNA)
where:
Base-Base interactions energy: -189.624
where: short stacking energy: -95.716
Base-Backbone interact. energy: -0.122
local terms energy: -101.501137
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -25.683
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: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -279.638203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.638203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.638203 (E_RNA)
where:
Base-Base interactions energy: -170.755
where: short stacking energy: -86.062
Base-Backbone interact. energy: -0.159
local terms energy: -108.724554
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -14.245
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: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -268.724828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.724828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.724828 (E_RNA)
where:
Base-Base interactions energy: -176.758
where: short stacking energy: -83.122
Base-Backbone interact. energy: -0.330
local terms energy: -91.637690
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -15.741
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: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -266.302573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.302573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.302573 (E_RNA)
where:
Base-Base interactions energy: -163.908
where: short stacking energy: -85.480
Base-Backbone interact. energy: -0.295
local terms energy: -102.098720
where:
bonds (distance) C4'-P energy: -22.986
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -243.310277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.310277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.310277 (E_RNA)
where:
Base-Base interactions energy: -150.188
where: short stacking energy: -65.631
Base-Backbone interact. energy: -0.384
local terms energy: -92.738133
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -117.002825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.002825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.002825 (E_RNA)
where:
Base-Base interactions energy: -48.461
where: short stacking energy: -44.601
Base-Backbone interact. energy: 2.059
local terms energy: -70.600060
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -111.006741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.006741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.006741 (E_RNA)
where:
Base-Base interactions energy: -44.012
where: short stacking energy: -28.822
Base-Backbone interact. energy: -0.531
local terms energy: -66.463675
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: 5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -374.974276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.974276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.974276 (E_RNA)
where:
Base-Base interactions energy: -251.205
where: short stacking energy: -128.122
Base-Backbone interact. energy: 1.123
local terms energy: -124.892536
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -39.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -363.151536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.151536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.151536 (E_RNA)
where:
Base-Base interactions energy: -243.020
where: short stacking energy: -99.716
Base-Backbone interact. energy: 1.811
local terms energy: -121.942771
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -29.017
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: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -311.479753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.479753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.479753 (E_RNA)
where:
Base-Base interactions energy: -201.353
where: short stacking energy: -88.858
Base-Backbone interact. energy: -0.828
local terms energy: -109.298681
where:
bonds (distance) C4'-P energy: -23.727
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -27.594
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -295.787244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.787244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.787244 (E_RNA)
where:
Base-Base interactions energy: -195.949
where: short stacking energy: -89.322
Base-Backbone interact. energy: -0.287
local terms energy: -99.551482
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -268.022166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.022166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.022166 (E_RNA)
where:
Base-Base interactions energy: -162.535
where: short stacking energy: -81.540
Base-Backbone interact. energy: -0.155
local terms energy: -105.331491
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -23.939
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: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -272.236290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.236290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.236290 (E_RNA)
where:
Base-Base interactions energy: -181.658
where: short stacking energy: -80.678
Base-Backbone interact. energy: -0.021
local terms energy: -90.557140
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -17.234
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: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -265.135976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.135976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.135976 (E_RNA)
where:
Base-Base interactions energy: -169.201
where: short stacking energy: -86.203
Base-Backbone interact. energy: -0.115
local terms energy: -95.820279
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -244.056837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.056837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.056837 (E_RNA)
where:
Base-Base interactions energy: -151.623
where: short stacking energy: -69.101
Base-Backbone interact. energy: -0.607
local terms energy: -91.826932
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -138.392311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.392311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.392311 (E_RNA)
where:
Base-Base interactions energy: -67.205
where: short stacking energy: -45.619
Base-Backbone interact. energy: -0.990
local terms energy: -70.196636
where:
bonds (distance) C4'-P energy: -26.069
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: 1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -114.481024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.481024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.481024 (E_RNA)
where:
Base-Base interactions energy: -39.735
where: short stacking energy: -39.735
Base-Backbone interact. energy: -0.242
local terms energy: -74.503121
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -372.639608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.639608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.639608 (E_RNA)
where:
Base-Base interactions energy: -241.375
where: short stacking energy: -119.768
Base-Backbone interact. energy: -0.360
local terms energy: -130.904274
where:
bonds (distance) C4'-P energy: -25.097
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -37.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -362.779606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.779606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.779606 (E_RNA)
where:
Base-Base interactions energy: -246.726
where: short stacking energy: -108.453
Base-Backbone interact. energy: -0.120
local terms energy: -115.933790
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -27.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -325.673363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.673363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.673363 (E_RNA)
where:
Base-Base interactions energy: -210.238
where: short stacking energy: -99.915
Base-Backbone interact. energy: -0.600
local terms energy: -114.835639
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -29.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -289.499439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.499439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.499439 (E_RNA)
where:
Base-Base interactions energy: -198.991
where: short stacking energy: -79.444
Base-Backbone interact. energy: 0.020
local terms energy: -90.528545
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -282.803137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.803137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.803137 (E_RNA)
where:
Base-Base interactions energy: -172.784
where: short stacking energy: -81.530
Base-Backbone interact. energy: -0.558
local terms energy: -109.461708
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -20.242
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: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -267.734502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.734502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.734502 (E_RNA)
where:
Base-Base interactions energy: -177.973
where: short stacking energy: -80.454
Base-Backbone interact. energy: -0.305
local terms energy: -89.456412
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -23.939
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -251.756147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.756147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.756147 (E_RNA)
where:
Base-Base interactions energy: -161.171
where: short stacking energy: -64.431
Base-Backbone interact. energy: 0.250
local terms energy: -90.835555
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -25.974
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -14.698
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: 154
Temperature: 1.250000
Total energy: -246.998192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.998192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.998192 (E_RNA)
where:
Base-Base interactions energy: -150.409
where: short stacking energy: -64.604
Base-Backbone interact. energy: -0.119
local terms energy: -96.469946
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -121.822841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.822841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.822841 (E_RNA)
where:
Base-Base interactions energy: -41.583
where: short stacking energy: -40.763
Base-Backbone interact. energy: 2.726
local terms energy: -82.966424
where:
bonds (distance) C4'-P energy: -28.759
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -118.263733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.263733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.263733 (E_RNA)
where:
Base-Base interactions energy: -51.427
where: short stacking energy: -24.847
Base-Backbone interact. energy: 3.327
local terms energy: -70.163914
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -14.252
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: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -380.199697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.199697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.199697 (E_RNA)
where:
Base-Base interactions energy: -246.985
where: short stacking energy: -117.449
Base-Backbone interact. energy: -0.457
local terms energy: -132.757452
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -24.721
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -39.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -365.699285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.699285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.699285 (E_RNA)
where:
Base-Base interactions energy: -251.293
where: short stacking energy: -103.015
Base-Backbone interact. energy: -0.074
local terms energy: -114.332902
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -13.620
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: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -319.044883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.044883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.044883 (E_RNA)
where:
Base-Base interactions energy: -199.130
where: short stacking energy: -98.537
Base-Backbone interact. energy: -0.092
local terms energy: -119.822243
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -31.776
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: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -290.350869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.350869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.350869 (E_RNA)
where:
Base-Base interactions energy: -205.872
where: short stacking energy: -89.832
Base-Backbone interact. energy: 0.873
local terms energy: -85.352038
where:
bonds (distance) C4'-P energy: -5.774
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -26.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -289.378238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.378238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.378238 (E_RNA)
where:
Base-Base interactions energy: -196.855
where: short stacking energy: -84.114
Base-Backbone interact. energy: -0.103
local terms energy: -92.420495
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -262.748546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.748546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.748546 (E_RNA)
where:
Base-Base interactions energy: -172.442
where: short stacking energy: -69.642
Base-Backbone interact. energy: 0.246
local terms energy: -90.551978
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -247.045455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.045455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.045455 (E_RNA)
where:
Base-Base interactions energy: -169.055
where: short stacking energy: -72.121
Base-Backbone interact. energy: -0.515
local terms energy: -77.475558
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -6.766
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -11.595
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: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -230.037326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.037326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.037326 (E_RNA)
where:
Base-Base interactions energy: -141.927
where: short stacking energy: -61.086
Base-Backbone interact. energy: -0.217
local terms energy: -87.893742
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -116.786223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.786223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.786223 (E_RNA)
where:
Base-Base interactions energy: -36.214
where: short stacking energy: -28.616
Base-Backbone interact. energy: -0.212
local terms energy: -80.360143
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -110.979697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.979697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.979697 (E_RNA)
where:
Base-Base interactions energy: -37.339
where: short stacking energy: -29.190
Base-Backbone interact. energy: -0.431
local terms energy: -73.209980
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: 3.218
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: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -378.853725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.853725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.853725 (E_RNA)
where:
Base-Base interactions energy: -255.238
where: short stacking energy: -108.441
Base-Backbone interact. energy: -0.665
local terms energy: -122.950719
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -32.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -359.409236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.409236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.409236 (E_RNA)
where:
Base-Base interactions energy: -235.919
where: short stacking energy: -112.768
Base-Backbone interact. energy: -2.693
local terms energy: -120.797542
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -33.393
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: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -308.562897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.562897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.562897 (E_RNA)
where:
Base-Base interactions energy: -195.910
where: short stacking energy: -89.924
Base-Backbone interact. energy: -0.116
local terms energy: -112.536667
where:
bonds (distance) C4'-P energy: -27.283
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -319.149408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.149408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.149408 (E_RNA)
where:
Base-Base interactions energy: -198.895
where: short stacking energy: -108.374
Base-Backbone interact. energy: -0.631
local terms energy: -119.622826
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -27.133
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -30.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -283.318268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.318268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.318268 (E_RNA)
where:
Base-Base interactions energy: -176.330
where: short stacking energy: -74.542
Base-Backbone interact. energy: -0.781
local terms energy: -106.207985
where:
bonds (distance) C4'-P energy: -26.946
bonds (distance) P-C4' energy: -27.052
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -271.573328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.573328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.573328 (E_RNA)
where:
Base-Base interactions energy: -177.793
where: short stacking energy: -80.144
Base-Backbone interact. energy: -0.165
local terms energy: -93.614983
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -245.166401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.166401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.166401 (E_RNA)
where:
Base-Base interactions energy: -134.580
where: short stacking energy: -64.701
Base-Backbone interact. energy: -0.659
local terms energy: -109.927146
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -236.577383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.577383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.577383 (E_RNA)
where:
Base-Base interactions energy: -156.210
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.091
local terms energy: -80.275986
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -119.736662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.736662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.736662 (E_RNA)
where:
Base-Base interactions energy: -38.769
where: short stacking energy: -37.085
Base-Backbone interact. energy: -0.730
local terms energy: -80.237410
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -103.636384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.636384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.636384 (E_RNA)
where:
Base-Base interactions energy: -35.341
where: short stacking energy: -27.166
Base-Backbone interact. energy: -1.370
local terms energy: -66.925655
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: 10.020
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: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -378.069947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.069947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.069947 (E_RNA)
where:
Base-Base interactions energy: -255.619
where: short stacking energy: -110.817
Base-Backbone interact. energy: -0.043
local terms energy: -122.407169
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -22.857
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -33.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -359.230776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.230776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.230776 (E_RNA)
where:
Base-Base interactions energy: -234.154
where: short stacking energy: -100.863
Base-Backbone interact. energy: -0.639
local terms energy: -124.438194
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -31.209
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: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -307.694108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.694108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.694108 (E_RNA)
where:
Base-Base interactions energy: -185.062
where: short stacking energy: -95.052
Base-Backbone interact. energy: -0.208
local terms energy: -122.424544
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -27.890
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -30.384
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: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -301.802848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.802848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.802848 (E_RNA)
where:
Base-Base interactions energy: -188.345
where: short stacking energy: -90.763
Base-Backbone interact. energy: -0.182
local terms energy: -113.275903
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -15.540
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: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -304.481621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.481621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.481621 (E_RNA)
where:
Base-Base interactions energy: -190.871
where: short stacking energy: -94.520
Base-Backbone interact. energy: -0.530
local terms energy: -113.080958
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -25.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -253.466363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.466363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.466363 (E_RNA)
where:
Base-Base interactions energy: -153.975
where: short stacking energy: -78.864
Base-Backbone interact. energy: -0.040
local terms energy: -99.451264
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -26.283
flat angles C4'-P-C4' energy: -25.376
flat angles P-C4'-P energy: -13.383
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: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -234.658939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.658939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.658939 (E_RNA)
where:
Base-Base interactions energy: -143.000
where: short stacking energy: -63.914
Base-Backbone interact. energy: -0.401
local terms energy: -91.258861
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -9.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -221.788614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.788614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.788614 (E_RNA)
where:
Base-Base interactions energy: -133.412
where: short stacking energy: -61.451
Base-Backbone interact. energy: -0.508
local terms energy: -87.868603
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -9.526
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: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -130.290128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.290128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.290128 (E_RNA)
where:
Base-Base interactions energy: -50.368
where: short stacking energy: -44.380
Base-Backbone interact. energy: -0.517
local terms energy: -79.405942
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -118.524534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.524534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.524534 (E_RNA)
where:
Base-Base interactions energy: -52.888
where: short stacking energy: -52.888
Base-Backbone interact. energy: -0.808
local terms energy: -64.828647
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -382.701307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.701307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.701307 (E_RNA)
where:
Base-Base interactions energy: -249.713
where: short stacking energy: -109.831
Base-Backbone interact. energy: -2.422
local terms energy: -130.565756
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -26.431
flat angles P-C4'-P energy: -19.439
tors. eta vs tors. theta energy: -32.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -363.010566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.010566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.010566 (E_RNA)
where:
Base-Base interactions energy: -240.125
where: short stacking energy: -118.329
Base-Backbone interact. energy: -0.032
local terms energy: -122.854060
where:
bonds (distance) C4'-P energy: -23.544
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -13.333
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: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -293.555933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.555933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.555933 (E_RNA)
where:
Base-Base interactions energy: -183.038
where: short stacking energy: -84.986
Base-Backbone interact. energy: -0.383
local terms energy: -110.135214
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -27.149
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -317.898795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.898795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.898795 (E_RNA)
where:
Base-Base interactions energy: -204.162
where: short stacking energy: -96.736
Base-Backbone interact. energy: -0.179
local terms energy: -113.557048
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -24.872
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: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -299.768773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.768773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.768773 (E_RNA)
where:
Base-Base interactions energy: -192.727
where: short stacking energy: -93.308
Base-Backbone interact. energy: -1.216
local terms energy: -105.826036
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -252.296639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.296639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.296639 (E_RNA)
where:
Base-Base interactions energy: -162.948
where: short stacking energy: -68.674
Base-Backbone interact. energy: -1.355
local terms energy: -87.993928
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -269.557819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.557819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.557819 (E_RNA)
where:
Base-Base interactions energy: -171.571
where: short stacking energy: -81.412
Base-Backbone interact. energy: -0.041
local terms energy: -97.945842
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -15.276
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: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -236.092721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.092721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.092721 (E_RNA)
where:
Base-Base interactions energy: -157.085
where: short stacking energy: -69.490
Base-Backbone interact. energy: -0.596
local terms energy: -78.412352
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -127.785343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.785343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.785343 (E_RNA)
where:
Base-Base interactions energy: -40.143
where: short stacking energy: -39.739
Base-Backbone interact. energy: -0.276
local terms energy: -87.366294
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -26.799
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -108.754323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.754323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.754323 (E_RNA)
where:
Base-Base interactions energy: -36.929
where: short stacking energy: -24.619
Base-Backbone interact. energy: 1.096
local terms energy: -72.921566
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -381.736369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.736369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.736369 (E_RNA)
where:
Base-Base interactions energy: -256.974
where: short stacking energy: -111.186
Base-Backbone interact. energy: -0.034
local terms energy: -124.728286
where:
bonds (distance) C4'-P energy: -25.926
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -34.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -333.603771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.603771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.603771 (E_RNA)
where:
Base-Base interactions energy: -218.447
where: short stacking energy: -101.724
Base-Backbone interact. energy: -1.496
local terms energy: -113.660901
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -27.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -341.743360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.743360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.743360 (E_RNA)
where:
Base-Base interactions energy: -221.762
where: short stacking energy: -111.326
Base-Backbone interact. energy: -0.013
local terms energy: -119.968295
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -33.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -311.438744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.438744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.438744 (E_RNA)
where:
Base-Base interactions energy: -197.197
where: short stacking energy: -99.659
Base-Backbone interact. energy: -0.230
local terms energy: -114.011672
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -26.547
flat angles P-C4'-P energy: -17.826
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: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -287.693965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.693965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.693965 (E_RNA)
where:
Base-Base interactions energy: -188.517
where: short stacking energy: -89.487
Base-Backbone interact. energy: -0.311
local terms energy: -98.866286
where:
bonds (distance) C4'-P energy: -25.605
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -11.817
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: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -290.490558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.490558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.490558 (E_RNA)
where:
Base-Base interactions energy: -181.971
where: short stacking energy: -95.052
Base-Backbone interact. energy: -0.217
local terms energy: -108.302618
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -27.212
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: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -258.320067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.320067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.320067 (E_RNA)
where:
Base-Base interactions energy: -155.154
where: short stacking energy: -77.471
Base-Backbone interact. energy: -0.493
local terms energy: -102.673032
where:
bonds (distance) C4'-P energy: -25.796
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -11.765
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: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -238.104442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.104442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.104442 (E_RNA)
where:
Base-Base interactions energy: -153.916
where: short stacking energy: -62.942
Base-Backbone interact. energy: -0.328
local terms energy: -83.860836
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -6.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -122.382548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.382548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.382548 (E_RNA)
where:
Base-Base interactions energy: -55.563
where: short stacking energy: -46.861
Base-Backbone interact. energy: -1.022
local terms energy: -65.797013
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -2.509
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: 2
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -115.808040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.808040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.808040 (E_RNA)
where:
Base-Base interactions energy: -52.270
where: short stacking energy: -40.564
Base-Backbone interact. energy: -0.582
local terms energy: -62.956145
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: 1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -374.608123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.608123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.608123 (E_RNA)
where:
Base-Base interactions energy: -245.572
where: short stacking energy: -108.023
Base-Backbone interact. energy: -0.345
local terms energy: -128.691531
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -24.677
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -33.932
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: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -333.465820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.465820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.465820 (E_RNA)
where:
Base-Base interactions energy: -207.400
where: short stacking energy: -103.225
Base-Backbone interact. energy: -0.070
local terms energy: -125.995493
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -26.609
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -29.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -353.276464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.276464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.276464 (E_RNA)
where:
Base-Base interactions energy: -234.684
where: short stacking energy: -100.382
Base-Backbone interact. energy: -0.146
local terms energy: -118.447426
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -32.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -306.834665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.834665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.834665 (E_RNA)
where:
Base-Base interactions energy: -197.040
where: short stacking energy: -95.386
Base-Backbone interact. energy: -0.109
local terms energy: -109.684889
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -24.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -273.983528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.983528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.983528 (E_RNA)
where:
Base-Base interactions energy: -175.718
where: short stacking energy: -85.862
Base-Backbone interact. energy: -0.371
local terms energy: -97.894954
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -288.526355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.526355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.526355 (E_RNA)
where:
Base-Base interactions energy: -181.334
where: short stacking energy: -89.573
Base-Backbone interact. energy: -0.451
local terms energy: -106.741381
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -9.594
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: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -265.444726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.444726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.444726 (E_RNA)
where:
Base-Base interactions energy: -166.103
where: short stacking energy: -73.127
Base-Backbone interact. energy: -1.563
local terms energy: -97.778738
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -18.986
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: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -245.937489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.937489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.937489 (E_RNA)
where:
Base-Base interactions energy: -164.334
where: short stacking energy: -72.618
Base-Backbone interact. energy: 0.120
local terms energy: -81.723308
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -11.746
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: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -139.544640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.544640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.544640 (E_RNA)
where:
Base-Base interactions energy: -59.122
where: short stacking energy: -40.949
Base-Backbone interact. energy: -0.517
local terms energy: -79.905147
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -117.282693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.282693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.282693 (E_RNA)
where:
Base-Base interactions energy: -47.627
where: short stacking energy: -43.476
Base-Backbone interact. energy: -0.631
local terms energy: -69.025479
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -11.502
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: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -373.306120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.306120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.306120 (E_RNA)
where:
Base-Base interactions energy: -241.151
where: short stacking energy: -101.756
Base-Backbone interact. energy: -0.141
local terms energy: -132.014042
where:
bonds (distance) C4'-P energy: -26.984
bonds (distance) P-C4' energy: -27.117
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: -32.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -371.872994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.872994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.872994 (E_RNA)
where:
Base-Base interactions energy: -235.872
where: short stacking energy: -111.480
Base-Backbone interact. energy: -0.011
local terms energy: -135.989590
where:
bonds (distance) C4'-P energy: -27.758
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -37.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -322.182030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.182030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.182030 (E_RNA)
where:
Base-Base interactions energy: -201.466
where: short stacking energy: -104.640
Base-Backbone interact. energy: -0.028
local terms energy: -120.688393
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -32.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -306.731859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.731859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.731859 (E_RNA)
where:
Base-Base interactions energy: -194.314
where: short stacking energy: -77.663
Base-Backbone interact. energy: -0.184
local terms energy: -112.234426
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -299.019310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.019310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.019310 (E_RNA)
where:
Base-Base interactions energy: -183.661
where: short stacking energy: -95.836
Base-Backbone interact. energy: -0.256
local terms energy: -115.101967
where:
bonds (distance) C4'-P energy: -25.518
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -25.890
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: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -248.330284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.330284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.330284 (E_RNA)
where:
Base-Base interactions energy: -142.191
where: short stacking energy: -69.463
Base-Backbone interact. energy: -0.005
local terms energy: -106.133907
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -26.517
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -15.063
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: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -270.923888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.923888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.923888 (E_RNA)
where:
Base-Base interactions energy: -174.947
where: short stacking energy: -80.691
Base-Backbone interact. energy: -0.861
local terms energy: -95.116120
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -26.493
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -241.902030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.902030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.902030 (E_RNA)
where:
Base-Base interactions energy: -152.953
where: short stacking energy: -70.073
Base-Backbone interact. energy: -0.589
local terms energy: -88.360039
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -13.629
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: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -122.418036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.418036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.418036 (E_RNA)
where:
Base-Base interactions energy: -58.704
where: short stacking energy: -36.537
Base-Backbone interact. energy: -0.646
local terms energy: -63.067827
where:
bonds (distance) C4'-P energy: -26.686
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: 1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -130.770623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.770623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.770623 (E_RNA)
where:
Base-Base interactions energy: -56.455
where: short stacking energy: -27.361
Base-Backbone interact. energy: -0.059
local terms energy: -74.256320
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: 2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -371.539773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.539773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.539773 (E_RNA)
where:
Base-Base interactions energy: -241.442
where: short stacking energy: -117.399
Base-Backbone interact. energy: -0.007
local terms energy: -130.090430
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -23.470
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -39.122
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: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -358.679498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.679498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.679498 (E_RNA)
where:
Base-Base interactions energy: -239.852
where: short stacking energy: -98.049
Base-Backbone interact. energy: 0.578
local terms energy: -119.405929
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -32.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -305.384287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.384287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.384287 (E_RNA)
where:
Base-Base interactions energy: -189.984
where: short stacking energy: -89.854
Base-Backbone interact. energy: 0.433
local terms energy: -115.832428
where:
bonds (distance) C4'-P energy: -26.313
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -307.393536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.393536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.393536 (E_RNA)
where:
Base-Base interactions energy: -203.987
where: short stacking energy: -87.951
Base-Backbone interact. energy: 0.158
local terms energy: -103.564595
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -306.888845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.888845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.888845 (E_RNA)
where:
Base-Base interactions energy: -187.165
where: short stacking energy: -87.953
Base-Backbone interact. energy: -0.146
local terms energy: -119.577397
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -28.170
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -29.114
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: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -262.699702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.699702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.699702 (E_RNA)
where:
Base-Base interactions energy: -167.708
where: short stacking energy: -69.353
Base-Backbone interact. energy: 1.077
local terms energy: -96.069079
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -260.466303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.466303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.466303 (E_RNA)
where:
Base-Base interactions energy: -164.326
where: short stacking energy: -75.262
Base-Backbone interact. energy: -1.023
local terms energy: -95.117243
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -12.824
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: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -242.560785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.560785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.560785 (E_RNA)
where:
Base-Base interactions energy: -145.198
where: short stacking energy: -66.907
Base-Backbone interact. energy: -0.343
local terms energy: -97.020347
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -17.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -129.304213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.304213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.304213 (E_RNA)
where:
Base-Base interactions energy: -51.501
where: short stacking energy: -41.319
Base-Backbone interact. energy: -1.540
local terms energy: -76.263200
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -105.483928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.483928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.483928 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -33.861
Base-Backbone interact. energy: -0.177
local terms energy: -69.512226
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -8.630
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: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -366.291315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.291315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.291315 (E_RNA)
where:
Base-Base interactions energy: -233.135
where: short stacking energy: -113.191
Base-Backbone interact. energy: 0.165
local terms energy: -133.321483
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -25.227
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -37.281
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: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -378.798579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.798579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.798579 (E_RNA)
where:
Base-Base interactions energy: -239.075
where: short stacking energy: -104.835
Base-Backbone interact. energy: 0.586
local terms energy: -140.309682
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -27.932
flat angles C4'-P-C4' energy: -27.697
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -36.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -323.817837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.817837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.817837 (E_RNA)
where:
Base-Base interactions energy: -217.355
where: short stacking energy: -102.328
Base-Backbone interact. energy: -0.245
local terms energy: -106.217341
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -24.875
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: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -281.242442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.242442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.242442 (E_RNA)
where:
Base-Base interactions energy: -175.477
where: short stacking energy: -94.176
Base-Backbone interact. energy: -0.447
local terms energy: -105.318970
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -296.774165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.774165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.774165 (E_RNA)
where:
Base-Base interactions energy: -194.790
where: short stacking energy: -78.063
Base-Backbone interact. energy: -0.431
local terms energy: -101.553371
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -25.911
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -275.677844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.677844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.677844 (E_RNA)
where:
Base-Base interactions energy: -181.592
where: short stacking energy: -68.135
Base-Backbone interact. energy: -0.455
local terms energy: -93.630704
where:
bonds (distance) C4'-P energy: -26.566
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -262.222001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.222001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.222001 (E_RNA)
where:
Base-Base interactions energy: -169.214
where: short stacking energy: -78.411
Base-Backbone interact. energy: -0.740
local terms energy: -92.268476
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -238.162020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.162020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.162020 (E_RNA)
where:
Base-Base interactions energy: -146.844
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.493
local terms energy: -90.825763
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -116.522954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.522954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.522954 (E_RNA)
where:
Base-Base interactions energy: -40.743
where: short stacking energy: -24.452
Base-Backbone interact. energy: -0.828
local terms energy: -74.951843
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: 7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -115.416662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.416662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.416662 (E_RNA)
where:
Base-Base interactions energy: -45.162
where: short stacking energy: -17.348
Base-Backbone interact. energy: -0.227
local terms energy: -70.027575
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: 12.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -379.936387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.936387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.936387 (E_RNA)
where:
Base-Base interactions energy: -254.660
where: short stacking energy: -112.597
Base-Backbone interact. energy: -0.120
local terms energy: -125.155900
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -369.011696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.011696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.011696 (E_RNA)
where:
Base-Base interactions energy: -238.073
where: short stacking energy: -115.482
Base-Backbone interact. energy: -0.078
local terms energy: -130.861005
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -35.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -311.592092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.592092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.592092 (E_RNA)
where:
Base-Base interactions energy: -199.240
where: short stacking energy: -97.055
Base-Backbone interact. energy: -0.216
local terms energy: -112.135531
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -25.888
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -27.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -263.522060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.522060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.522060 (E_RNA)
where:
Base-Base interactions energy: -170.062
where: short stacking energy: -67.710
Base-Backbone interact. energy: -1.604
local terms energy: -91.855874
where:
bonds (distance) C4'-P energy: -23.099
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -289.435246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.435246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.435246 (E_RNA)
where:
Base-Base interactions energy: -190.501
where: short stacking energy: -86.093
Base-Backbone interact. energy: -0.244
local terms energy: -98.690187
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -26.833
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -283.336644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.336644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.336644 (E_RNA)
where:
Base-Base interactions energy: -183.093
where: short stacking energy: -84.656
Base-Backbone interact. energy: -0.767
local terms energy: -99.476435
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -256.978427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.978427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.978427 (E_RNA)
where:
Base-Base interactions energy: -151.553
where: short stacking energy: -55.176
Base-Backbone interact. energy: 0.262
local terms energy: -105.686777
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -16.756
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: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -266.865751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.865751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.865751 (E_RNA)
where:
Base-Base interactions energy: -168.768
where: short stacking energy: -68.049
Base-Backbone interact. energy: -1.066
local terms energy: -97.031943
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -114.141025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.141025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.141025 (E_RNA)
where:
Base-Base interactions energy: -36.242
where: short stacking energy: -36.242
Base-Backbone interact. energy: 0.220
local terms energy: -78.118439
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -24.820
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -127.609018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.609018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.609018 (E_RNA)
where:
Base-Base interactions energy: -49.394
where: short stacking energy: -34.232
Base-Backbone interact. energy: 2.952
local terms energy: -81.166857
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -24.960
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -16.877
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: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -381.005410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.005410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.005410 (E_RNA)
where:
Base-Base interactions energy: -262.654
where: short stacking energy: -109.665
Base-Backbone interact. energy: -0.583
local terms energy: -117.768224
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -35.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -355.338743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.338743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.338743 (E_RNA)
where:
Base-Base interactions energy: -230.760
where: short stacking energy: -110.555
Base-Backbone interact. energy: -0.295
local terms energy: -124.284224
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -35.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -305.883541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.883541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.883541 (E_RNA)
where:
Base-Base interactions energy: -193.591
where: short stacking energy: -85.313
Base-Backbone interact. energy: -0.097
local terms energy: -112.195182
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -24.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -293.451790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.451790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.451790 (E_RNA)
where:
Base-Base interactions energy: -182.983
where: short stacking energy: -88.028
Base-Backbone interact. energy: 0.248
local terms energy: -110.717118
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -28.425
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -26.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -286.282492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.282492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.282492 (E_RNA)
where:
Base-Base interactions energy: -181.743
where: short stacking energy: -78.937
Base-Backbone interact. energy: -0.391
local terms energy: -104.148190
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -13.038
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: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -273.618469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.618469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.618469 (E_RNA)
where:
Base-Base interactions energy: -167.335
where: short stacking energy: -82.121
Base-Backbone interact. energy: -0.133
local terms energy: -106.150660
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -26.467
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -22.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -271.176833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.176833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.176833 (E_RNA)
where:
Base-Base interactions energy: -181.964
where: short stacking energy: -64.933
Base-Backbone interact. energy: 0.732
local terms energy: -89.945147
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -12.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -273.783385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.783385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.783385 (E_RNA)
where:
Base-Base interactions energy: -181.206
where: short stacking energy: -79.031
Base-Backbone interact. energy: 3.675
local terms energy: -96.252453
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -110.850782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.850782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.850782 (E_RNA)
where:
Base-Base interactions energy: -46.099
where: short stacking energy: -39.445
Base-Backbone interact. energy: -0.408
local terms energy: -64.343756
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: 1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -112.123468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.123468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.123468 (E_RNA)
where:
Base-Base interactions energy: -37.910
where: short stacking energy: -26.266
Base-Backbone interact. energy: -0.145
local terms energy: -74.069165
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: 2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -387.187096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.187096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.187096 (E_RNA)
where:
Base-Base interactions energy: -262.230
where: short stacking energy: -109.324
Base-Backbone interact. energy: -0.053
local terms energy: -124.903927
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -25.638
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -32.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -346.146184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.146184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.146184 (E_RNA)
where:
Base-Base interactions energy: -220.104
where: short stacking energy: -102.553
Base-Backbone interact. energy: -0.347
local terms energy: -125.694567
where:
bonds (distance) C4'-P energy: -25.542
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -34.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -317.800704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.800704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.800704 (E_RNA)
where:
Base-Base interactions energy: -194.723
where: short stacking energy: -99.277
Base-Backbone interact. energy: -0.074
local terms energy: -123.003104
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -30.012
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: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -312.805268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.805268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.805268 (E_RNA)
where:
Base-Base interactions energy: -204.448
where: short stacking energy: -85.136
Base-Backbone interact. energy: -0.072
local terms energy: -108.284883
where:
bonds (distance) C4'-P energy: -25.021
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -22.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -273.110682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.110682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.110682 (E_RNA)
where:
Base-Base interactions energy: -177.781
where: short stacking energy: -80.346
Base-Backbone interact. energy: -0.760
local terms energy: -94.569851
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -260.556412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.556412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.556412 (E_RNA)
where:
Base-Base interactions energy: -160.573
where: short stacking energy: -70.660
Base-Backbone interact. energy: -0.142
local terms energy: -99.841662
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -17.919
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: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -261.938779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.938779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.938779 (E_RNA)
where:
Base-Base interactions energy: -163.288
where: short stacking energy: -73.261
Base-Backbone interact. energy: -0.301
local terms energy: -98.349213
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -254.047686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.047686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.047686 (E_RNA)
where:
Base-Base interactions energy: -166.149
where: short stacking energy: -67.876
Base-Backbone interact. energy: -0.496
local terms energy: -87.402458
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -11.882
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: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -113.274400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.274400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.274400 (E_RNA)
where:
Base-Base interactions energy: -39.366
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.642
local terms energy: -73.266100
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -112.477622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.477622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.477622 (E_RNA)
where:
Base-Base interactions energy: -35.423
where: short stacking energy: -32.248
Base-Backbone interact. energy: -0.282
local terms energy: -76.772301
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -5.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -377.315060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.315060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.315060 (E_RNA)
where:
Base-Base interactions energy: -252.231
where: short stacking energy: -110.550
Base-Backbone interact. energy: -0.157
local terms energy: -124.927334
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -27.883
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -34.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -369.996469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.996469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.996469 (E_RNA)
where:
Base-Base interactions energy: -238.763
where: short stacking energy: -125.719
Base-Backbone interact. energy: -0.013
local terms energy: -131.220834
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: -37.818
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: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -309.828327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.828327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.828327 (E_RNA)
where:
Base-Base interactions energy: -198.351
where: short stacking energy: -89.643
Base-Backbone interact. energy: 0.272
local terms energy: -111.749362
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -22.500
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: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -304.598889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.598889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.598889 (E_RNA)
where:
Base-Base interactions energy: -192.464
where: short stacking energy: -94.101
Base-Backbone interact. energy: -1.398
local terms energy: -110.736931
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -27.856
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: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -292.446186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.446186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.446186 (E_RNA)
where:
Base-Base interactions energy: -182.861
where: short stacking energy: -85.330
Base-Backbone interact. energy: 0.501
local terms energy: -110.086011
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -23.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -282.382839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.382839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.382839 (E_RNA)
where:
Base-Base interactions energy: -179.511
where: short stacking energy: -82.219
Base-Backbone interact. energy: -0.619
local terms energy: -102.253113
where:
bonds (distance) C4'-P energy: -26.668
bonds (distance) P-C4' energy: -23.525
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -249.147453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.147453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.147453 (E_RNA)
where:
Base-Base interactions energy: -142.597
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.130
local terms energy: -106.421062
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -27.127
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -277.039905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.039905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.039905 (E_RNA)
where:
Base-Base interactions energy: -174.842
where: short stacking energy: -81.365
Base-Backbone interact. energy: -0.435
local terms energy: -101.763689
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -15.537
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: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -113.524631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.524631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.524631 (E_RNA)
where:
Base-Base interactions energy: -45.153
where: short stacking energy: -44.152
Base-Backbone interact. energy: 0.989
local terms energy: -69.360966
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -12.894
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: 10, replica: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -118.912123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.912123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.912123 (E_RNA)
where:
Base-Base interactions energy: -51.910
where: short stacking energy: -51.216
Base-Backbone interact. energy: -0.373
local terms energy: -66.628684
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -6.933
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: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -378.720544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.720544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.720544 (E_RNA)
where:
Base-Base interactions energy: -253.973
where: short stacking energy: -121.398
Base-Backbone interact. energy: -0.002
local terms energy: -124.745187
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -25.237
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -37.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -366.698379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.698379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.698379 (E_RNA)
where:
Base-Base interactions energy: -240.795
where: short stacking energy: -109.201
Base-Backbone interact. energy: -0.638
local terms energy: -125.264887
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -314.480889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.480889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.480889 (E_RNA)
where:
Base-Base interactions energy: -182.857
where: short stacking energy: -96.694
Base-Backbone interact. energy: -0.138
local terms energy: -131.486619
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -19.763
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: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -309.726745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.726745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.726745 (E_RNA)
where:
Base-Base interactions energy: -194.860
where: short stacking energy: -96.379
Base-Backbone interact. energy: -0.224
local terms energy: -114.642354
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -28.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -314.033696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.033696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.033696 (E_RNA)
where:
Base-Base interactions energy: -193.040
where: short stacking energy: -100.801
Base-Backbone interact. energy: -0.282
local terms energy: -120.711648
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -27.529
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -25.007
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: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -279.614030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.614030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.614030 (E_RNA)
where:
Base-Base interactions energy: -173.714
where: short stacking energy: -75.431
Base-Backbone interact. energy: -0.321
local terms energy: -105.578696
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -274.453837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.453837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.453837 (E_RNA)
where:
Base-Base interactions energy: -181.750
where: short stacking energy: -73.784
Base-Backbone interact. energy: -0.339
local terms energy: -92.364395
where:
bonds (distance) C4'-P energy: -25.057
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -263.791632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.791632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.791632 (E_RNA)
where:
Base-Base interactions energy: -164.917
where: short stacking energy: -72.824
Base-Backbone interact. energy: -0.537
local terms energy: -98.337208
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -109.417067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.417067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.417067 (E_RNA)
where:
Base-Base interactions energy: -39.979
where: short stacking energy: -34.820
Base-Backbone interact. energy: -0.742
local terms energy: -68.695527
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -105.026295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.026295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.026295 (E_RNA)
where:
Base-Base interactions energy: -38.002
where: short stacking energy: -30.480
Base-Backbone interact. energy: -0.420
local terms energy: -66.603917
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -378.607893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.607893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.607893 (E_RNA)
where:
Base-Base interactions energy: -251.766
where: short stacking energy: -105.480
Base-Backbone interact. energy: -0.405
local terms energy: -126.436544
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -30.996
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: 169
Temperature: 0.950000
Total energy: -365.239393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.239393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.239393 (E_RNA)
where:
Base-Base interactions energy: -243.653
where: short stacking energy: -100.709
Base-Backbone interact. energy: 0.745
local terms energy: -122.331956
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -28.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -313.554168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.554168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.554168 (E_RNA)
where:
Base-Base interactions energy: -195.147
where: short stacking energy: -102.505
Base-Backbone interact. energy: -0.470
local terms energy: -117.937404
where:
bonds (distance) C4'-P energy: -25.800
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -28.928
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: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -336.429392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.429392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.429392 (E_RNA)
where:
Base-Base interactions energy: -219.524
where: short stacking energy: -111.571
Base-Backbone interact. energy: -0.879
local terms energy: -116.026863
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -32.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -285.976222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.976222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.976222 (E_RNA)
where:
Base-Base interactions energy: -179.041
where: short stacking energy: -85.860
Base-Backbone interact. energy: -0.007
local terms energy: -106.928481
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -270.478407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.478407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.478407 (E_RNA)
where:
Base-Base interactions energy: -173.973
where: short stacking energy: -72.145
Base-Backbone interact. energy: -0.357
local terms energy: -96.148047
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -15.889
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: 169
Temperature: 1.200000
Total energy: -258.247504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.247504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.247504 (E_RNA)
where:
Base-Base interactions energy: -169.494
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.551
local terms energy: -88.202305
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -13.602
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: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -267.344060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.344060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.344060 (E_RNA)
where:
Base-Base interactions energy: -166.090
where: short stacking energy: -89.683
Base-Backbone interact. energy: 0.452
local terms energy: -101.706049
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -25.131
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: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -115.206774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.206774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.206774 (E_RNA)
where:
Base-Base interactions energy: -43.523
where: short stacking energy: -43.523
Base-Backbone interact. energy: 1.180
local terms energy: -72.863990
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -109.927011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.927011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.927011 (E_RNA)
where:
Base-Base interactions energy: -35.101
where: short stacking energy: -27.487
Base-Backbone interact. energy: 0.174
local terms energy: -75.000468
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -374.611322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.611322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.611322 (E_RNA)
where:
Base-Base interactions energy: -247.801
where: short stacking energy: -108.547
Base-Backbone interact. energy: -0.958
local terms energy: -125.852733
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -28.478
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -32.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -374.656837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.656837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.656837 (E_RNA)
where:
Base-Base interactions energy: -245.932
where: short stacking energy: -113.635
Base-Backbone interact. energy: -0.783
local terms energy: -127.941581
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -33.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -301.198140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.198140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.198140 (E_RNA)
where:
Base-Base interactions energy: -191.114
where: short stacking energy: -87.880
Base-Backbone interact. energy: 0.351
local terms energy: -110.435428
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -296.885317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.885317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.885317 (E_RNA)
where:
Base-Base interactions energy: -191.747
where: short stacking energy: -95.238
Base-Backbone interact. energy: -0.094
local terms energy: -105.044107
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -20.882
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -277.227302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.227302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.227302 (E_RNA)
where:
Base-Base interactions energy: -179.744
where: short stacking energy: -75.270
Base-Backbone interact. energy: -0.288
local terms energy: -97.195352
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -279.713554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.713554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.713554 (E_RNA)
where:
Base-Base interactions energy: -177.165
where: short stacking energy: -84.359
Base-Backbone interact. energy: -0.339
local terms energy: -102.209640
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -18.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -249.788680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.788680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.788680 (E_RNA)
where:
Base-Base interactions energy: -154.227
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.150
local terms energy: -95.411530
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -14.877
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: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -258.556024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.556024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.556024 (E_RNA)
where:
Base-Base interactions energy: -164.556
where: short stacking energy: -65.981
Base-Backbone interact. energy: -0.251
local terms energy: -93.748232
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -123.787103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.787103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.787103 (E_RNA)
where:
Base-Base interactions energy: -48.957
where: short stacking energy: -44.773
Base-Backbone interact. energy: -0.128
local terms energy: -74.702182
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -28.428
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -6.204
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: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -112.343400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.343400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.343400 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -33.776
Base-Backbone interact. energy: -0.318
local terms energy: -73.724316
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -25.302
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -380.138127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.138127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.138127 (E_RNA)
where:
Base-Base interactions energy: -254.899
where: short stacking energy: -108.706
Base-Backbone interact. energy: -1.514
local terms energy: -123.725774
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -27.392
flat angles C4'-P-C4' energy: -26.662
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -31.524
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: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -367.553124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.553124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.553124 (E_RNA)
where:
Base-Base interactions energy: -241.130
where: short stacking energy: -114.070
Base-Backbone interact. energy: -0.362
local terms energy: -126.061651
where:
bonds (distance) C4'-P energy: -24.927
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -36.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -301.945674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.945674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.945674 (E_RNA)
where:
Base-Base interactions energy: -185.239
where: short stacking energy: -89.389
Base-Backbone interact. energy: -0.843
local terms energy: -115.863112
where:
bonds (distance) C4'-P energy: -27.113
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -26.339
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -23.620
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: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -282.412144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.412144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.412144 (E_RNA)
where:
Base-Base interactions energy: -180.473
where: short stacking energy: -84.510
Base-Backbone interact. energy: -0.841
local terms energy: -101.097711
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -282.593147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.593147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.593147 (E_RNA)
where:
Base-Base interactions energy: -184.051
where: short stacking energy: -79.888
Base-Backbone interact. energy: -0.070
local terms energy: -98.472156
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -265.015820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.015820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.015820 (E_RNA)
where:
Base-Base interactions energy: -166.145
where: short stacking energy: -71.563
Base-Backbone interact. energy: 0.407
local terms energy: -99.277795
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -11.531
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: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -257.784520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.784520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.784520 (E_RNA)
where:
Base-Base interactions energy: -163.210
where: short stacking energy: -74.081
Base-Backbone interact. energy: -0.223
local terms energy: -94.351621
where:
bonds (distance) C4'-P energy: -25.869
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -256.861482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.861482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.861482 (E_RNA)
where:
Base-Base interactions energy: -171.499
where: short stacking energy: -61.572
Base-Backbone interact. energy: -0.445
local terms energy: -84.917779
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -22.553
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -132.738269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.738269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.738269 (E_RNA)
where:
Base-Base interactions energy: -51.438
where: short stacking energy: -34.928
Base-Backbone interact. energy: 0.364
local terms energy: -81.664692
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -108.274053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.274053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.274053 (E_RNA)
where:
Base-Base interactions energy: -41.375
where: short stacking energy: -38.156
Base-Backbone interact. energy: -0.089
local terms energy: -66.810792
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: 0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -383.380758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.380758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.380758 (E_RNA)
where:
Base-Base interactions energy: -251.689
where: short stacking energy: -119.907
Base-Backbone interact. energy: -0.195
local terms energy: -131.496386
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -36.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -370.394881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.394881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.394881 (E_RNA)
where:
Base-Base interactions energy: -250.668
where: short stacking energy: -106.537
Base-Backbone interact. energy: -0.494
local terms energy: -119.233668
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -28.813
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -322.044925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.044925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.044925 (E_RNA)
where:
Base-Base interactions energy: -212.860
where: short stacking energy: -92.013
Base-Backbone interact. energy: -0.464
local terms energy: -108.721589
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -303.491843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.491843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.491843 (E_RNA)
where:
Base-Base interactions energy: -194.860
where: short stacking energy: -97.707
Base-Backbone interact. energy: -0.182
local terms energy: -108.449146
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -28.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -291.468460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.468460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.468460 (E_RNA)
where:
Base-Base interactions energy: -177.326
where: short stacking energy: -91.830
Base-Backbone interact. energy: -0.367
local terms energy: -113.775156
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -20.432
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: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -291.193509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.193509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.193509 (E_RNA)
where:
Base-Base interactions energy: -183.166
where: short stacking energy: -84.603
Base-Backbone interact. energy: 0.389
local terms energy: -108.416287
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -26.209
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -284.214012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.214012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.214012 (E_RNA)
where:
Base-Base interactions energy: -183.092
where: short stacking energy: -82.610
Base-Backbone interact. energy: -0.095
local terms energy: -101.027018
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -21.698
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: 172
Temperature: 1.250000
Total energy: -253.634755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.634755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.634755 (E_RNA)
where:
Base-Base interactions energy: -152.618
where: short stacking energy: -75.071
Base-Backbone interact. energy: -0.049
local terms energy: -100.967484
where:
bonds (distance) C4'-P energy: -25.996
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -19.508
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: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -118.532442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.532442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.532442 (E_RNA)
where:
Base-Base interactions energy: -48.535
where: short stacking energy: -43.561
Base-Backbone interact. energy: -0.245
local terms energy: -69.752988
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -114.157702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.157702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.157702 (E_RNA)
where:
Base-Base interactions energy: -46.198
where: short stacking energy: -23.658
Base-Backbone interact. energy: -0.470
local terms energy: -67.490120
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -7.790
flat angles P-C4'-P energy: -13.064
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: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -363.029949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.029949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.029949 (E_RNA)
where:
Base-Base interactions energy: -234.968
where: short stacking energy: -113.947
Base-Backbone interact. energy: -0.220
local terms energy: -127.842099
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -30.812
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -31.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -372.042699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.042699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.042699 (E_RNA)
where:
Base-Base interactions energy: -251.666
where: short stacking energy: -115.991
Base-Backbone interact. energy: 0.322
local terms energy: -120.698594
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -31.740
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: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -325.382835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.382835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.382835 (E_RNA)
where:
Base-Base interactions energy: -209.465
where: short stacking energy: -93.478
Base-Backbone interact. energy: -0.386
local terms energy: -115.531867
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -26.074
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -23.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -303.204640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.204640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.204640 (E_RNA)
where:
Base-Base interactions energy: -200.460
where: short stacking energy: -82.855
Base-Backbone interact. energy: -0.261
local terms energy: -102.483099
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -24.056
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -18.784
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: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -286.717801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.717801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.717801 (E_RNA)
where:
Base-Base interactions energy: -183.885
where: short stacking energy: -70.123
Base-Backbone interact. energy: 1.344
local terms energy: -104.176691
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -292.878228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.878228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.878228 (E_RNA)
where:
Base-Base interactions energy: -184.611
where: short stacking energy: -88.236
Base-Backbone interact. energy: -1.140
local terms energy: -107.126678
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -24.941
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: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -273.556510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.556510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.556510 (E_RNA)
where:
Base-Base interactions energy: -172.222
where: short stacking energy: -79.760
Base-Backbone interact. energy: -0.149
local terms energy: -101.185554
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -19.359
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: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -230.379712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.379712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.379712 (E_RNA)
where:
Base-Base interactions energy: -144.952
where: short stacking energy: -63.259
Base-Backbone interact. energy: -0.455
local terms energy: -84.972289
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -8.373
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: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -118.265889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.265889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.265889 (E_RNA)
where:
Base-Base interactions energy: -37.851
where: short stacking energy: -37.851
Base-Backbone interact. energy: -0.494
local terms energy: -79.920211
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -117.937007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.937007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.937007 (E_RNA)
where:
Base-Base interactions energy: -44.300
where: short stacking energy: -44.118
Base-Backbone interact. energy: -0.260
local terms energy: -73.376740
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -8.446
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: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -380.454502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.454502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.454502 (E_RNA)
where:
Base-Base interactions energy: -254.321
where: short stacking energy: -113.601
Base-Backbone interact. energy: -0.113
local terms energy: -126.020255
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -20.370
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: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -354.319256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.319256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.319256 (E_RNA)
where:
Base-Base interactions energy: -233.120
where: short stacking energy: -114.847
Base-Backbone interact. energy: -0.534
local terms energy: -120.665412
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -36.591
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: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -320.631102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.631102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.631102 (E_RNA)
where:
Base-Base interactions energy: -210.496
where: short stacking energy: -93.193
Base-Backbone interact. energy: -1.239
local terms energy: -108.895535
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -278.989955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.989955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.989955 (E_RNA)
where:
Base-Base interactions energy: -177.951
where: short stacking energy: -73.126
Base-Backbone interact. energy: -0.686
local terms energy: -100.352830
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -287.516025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.516025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.516025 (E_RNA)
where:
Base-Base interactions energy: -185.561
where: short stacking energy: -84.043
Base-Backbone interact. energy: -0.196
local terms energy: -101.759452
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -16.346
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: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -287.062044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.062044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.062044 (E_RNA)
where:
Base-Base interactions energy: -172.240
where: short stacking energy: -84.139
Base-Backbone interact. energy: -0.103
local terms energy: -114.719534
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -30.760
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -27.915
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: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -262.952202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.952202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.952202 (E_RNA)
where:
Base-Base interactions energy: -167.251
where: short stacking energy: -73.014
Base-Backbone interact. energy: -1.156
local terms energy: -94.544761
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -224.096856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.096856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.096856 (E_RNA)
where:
Base-Base interactions energy: -133.309
where: short stacking energy: -72.550
Base-Backbone interact. energy: -0.139
local terms energy: -90.648777
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -108.470331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.470331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.470331 (E_RNA)
where:
Base-Base interactions energy: -35.567
where: short stacking energy: -29.298
Base-Backbone interact. energy: 0.657
local terms energy: -73.559808
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: 0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -121.005332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.005332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.005332 (E_RNA)
where:
Base-Base interactions energy: -39.427
where: short stacking energy: -28.734
Base-Backbone interact. energy: -0.274
local terms energy: -81.304276
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -384.894777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.894777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.894777 (E_RNA)
where:
Base-Base interactions energy: -256.290
where: short stacking energy: -111.530
Base-Backbone interact. energy: -0.960
local terms energy: -127.644416
where:
bonds (distance) C4'-P energy: -25.316
bonds (distance) P-C4' energy: -23.470
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -37.641
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: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -360.607828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.607828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.607828 (E_RNA)
where:
Base-Base interactions energy: -235.155
where: short stacking energy: -116.400
Base-Backbone interact. energy: -0.165
local terms energy: -125.287273
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -25.136
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -309.644403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.644403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.644403 (E_RNA)
where:
Base-Base interactions energy: -204.883
where: short stacking energy: -91.024
Base-Backbone interact. energy: 2.215
local terms energy: -106.976523
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -331.950707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.950707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.950707 (E_RNA)
where:
Base-Base interactions energy: -212.180
where: short stacking energy: -93.924
Base-Backbone interact. energy: -0.057
local terms energy: -119.713876
where:
bonds (distance) C4'-P energy: -24.607
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -29.737
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: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -287.771646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.771646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.771646 (E_RNA)
where:
Base-Base interactions energy: -182.189
where: short stacking energy: -90.361
Base-Backbone interact. energy: -0.129
local terms energy: -105.453811
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -17.921
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: 6, replica: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -280.360159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.360159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.360159 (E_RNA)
where:
Base-Base interactions energy: -176.214
where: short stacking energy: -81.698
Base-Backbone interact. energy: -0.048
local terms energy: -104.098246
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -26.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -231.025605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.025605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.025605 (E_RNA)
where:
Base-Base interactions energy: -132.747
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.203
local terms energy: -98.075347
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -246.303448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.303448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.303448 (E_RNA)
where:
Base-Base interactions energy: -152.510
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.119
local terms energy: -93.673739
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -15.227
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: 175
Temperature: 1.300000
Total energy: -165.079671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.079671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.079671 (E_RNA)
where:
Base-Base interactions energy: -82.119
where: short stacking energy: -46.162
Base-Backbone interact. energy: -0.527
local terms energy: -82.433503
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -8.479
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: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -122.449138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.449138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.449138 (E_RNA)
where:
Base-Base interactions energy: -42.901
where: short stacking energy: -40.400
Base-Backbone interact. energy: -0.096
local terms energy: -79.451877
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -384.266623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.266623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.266623 (E_RNA)
where:
Base-Base interactions energy: -258.784
where: short stacking energy: -110.277
Base-Backbone interact. energy: -0.722
local terms energy: -124.760725
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -27.093
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -33.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -353.788261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.788261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.788261 (E_RNA)
where:
Base-Base interactions energy: -225.220
where: short stacking energy: -113.138
Base-Backbone interact. energy: -0.038
local terms energy: -128.530652
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -33.166
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: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -326.915804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.915804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.915804 (E_RNA)
where:
Base-Base interactions energy: -211.610
where: short stacking energy: -99.859
Base-Backbone interact. energy: -0.213
local terms energy: -115.092952
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -31.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -315.714641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.714641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.714641 (E_RNA)
where:
Base-Base interactions energy: -203.510
where: short stacking energy: -93.508
Base-Backbone interact. energy: -1.089
local terms energy: -111.115217
where:
bonds (distance) C4'-P energy: -22.684
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -27.235
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -277.159702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.159702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.159702 (E_RNA)
where:
Base-Base interactions energy: -168.931
where: short stacking energy: -81.011
Base-Backbone interact. energy: -0.062
local terms energy: -108.167564
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -26.371
flat angles P-C4'-P energy: -11.208
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: 6, replica: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -256.912420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.912420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.912420 (E_RNA)
where:
Base-Base interactions energy: -163.202
where: short stacking energy: -83.219
Base-Backbone interact. energy: 0.173
local terms energy: -93.883319
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -16.372
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: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -250.775058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.775058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.775058 (E_RNA)
where:
Base-Base interactions energy: -145.191
where: short stacking energy: -74.204
Base-Backbone interact. energy: -0.290
local terms energy: -105.293569
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -17.785
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: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -210.129215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.129215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.129215 (E_RNA)
where:
Base-Base interactions energy: -121.103
where: short stacking energy: -57.080
Base-Backbone interact. energy: -0.550
local terms energy: -88.475642
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -24.283
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -121.815060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.815060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.815060 (E_RNA)
where:
Base-Base interactions energy: -41.554
where: short stacking energy: -40.167
Base-Backbone interact. energy: 0.258
local terms energy: -80.518605
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -4.327
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: 2
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -116.815758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.815758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.815758 (E_RNA)
where:
Base-Base interactions energy: -44.408
where: short stacking energy: -28.388
Base-Backbone interact. energy: -0.249
local terms energy: -72.158255
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -380.356998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.356998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.356998 (E_RNA)
where:
Base-Base interactions energy: -251.867
where: short stacking energy: -110.107
Base-Backbone interact. energy: -0.549
local terms energy: -127.940535
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -28.357
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -34.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -345.134218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.134218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.134218 (E_RNA)
where:
Base-Base interactions energy: -224.403
where: short stacking energy: -102.133
Base-Backbone interact. energy: -0.560
local terms energy: -120.170481
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -25.991
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -32.887
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: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -308.649294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.649294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.649294 (E_RNA)
where:
Base-Base interactions energy: -196.043
where: short stacking energy: -90.773
Base-Backbone interact. energy: -0.179
local terms energy: -112.427541
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -24.175
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -27.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -293.381227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.381227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.381227 (E_RNA)
where:
Base-Base interactions energy: -189.330
where: short stacking energy: -86.804
Base-Backbone interact. energy: -1.128
local terms energy: -102.922284
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -14.118
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: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -303.322805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.322805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.322805 (E_RNA)
where:
Base-Base interactions energy: -191.576
where: short stacking energy: -82.119
Base-Backbone interact. energy: -0.015
local terms energy: -111.732564
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -16.682
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: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -265.633067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.633067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.633067 (E_RNA)
where:
Base-Base interactions energy: -163.515
where: short stacking energy: -76.571
Base-Backbone interact. energy: -0.688
local terms energy: -101.429769
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -265.151382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.151382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.151382 (E_RNA)
where:
Base-Base interactions energy: -163.524
where: short stacking energy: -65.643
Base-Backbone interact. energy: -0.411
local terms energy: -101.216672
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -9.937
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: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -215.971185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.971185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.971185 (E_RNA)
where:
Base-Base interactions energy: -135.455
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.218
local terms energy: -80.298426
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -7.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -116.169665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.169665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.169665 (E_RNA)
where:
Base-Base interactions energy: -47.766
where: short stacking energy: -35.191
Base-Backbone interact. energy: 1.411
local terms energy: -69.814291
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -119.762519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.762519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.762519 (E_RNA)
where:
Base-Base interactions energy: -48.573
where: short stacking energy: -40.162
Base-Backbone interact. energy: -0.115
local terms energy: -71.074297
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -372.482208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.482208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.482208 (E_RNA)
where:
Base-Base interactions energy: -248.298
where: short stacking energy: -109.583
Base-Backbone interact. energy: -1.817
local terms energy: -122.367384
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -26.127
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -31.752
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: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -357.419842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.419842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.419842 (E_RNA)
where:
Base-Base interactions energy: -222.928
where: short stacking energy: -104.207
Base-Backbone interact. energy: -0.229
local terms energy: -134.263429
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -22.143
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: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -308.918039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.918039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.918039 (E_RNA)
where:
Base-Base interactions energy: -192.632
where: short stacking energy: -88.283
Base-Backbone interact. energy: -0.030
local terms energy: -116.256119
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -20.749
tors. eta vs tors. theta energy: -23.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -299.702697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.702697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.702697 (E_RNA)
where:
Base-Base interactions energy: -188.232
where: short stacking energy: -82.298
Base-Backbone interact. energy: 0.034
local terms energy: -111.504491
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -26.725
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -21.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -296.113152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.113152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.113152 (E_RNA)
where:
Base-Base interactions energy: -201.460
where: short stacking energy: -85.976
Base-Backbone interact. energy: 1.511
local terms energy: -96.163652
where:
bonds (distance) C4'-P energy: -24.014
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -264.319681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.319681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.319681 (E_RNA)
where:
Base-Base interactions energy: -154.923
where: short stacking energy: -78.733
Base-Backbone interact. energy: -0.317
local terms energy: -109.080190
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -268.718732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.718732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.718732 (E_RNA)
where:
Base-Base interactions energy: -177.851
where: short stacking energy: -99.277
Base-Backbone interact. energy: -0.280
local terms energy: -90.587826
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -22.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -257.624666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.624666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.624666 (E_RNA)
where:
Base-Base interactions energy: -164.152
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.216
local terms energy: -93.256881
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -118.053585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.053585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.053585 (E_RNA)
where:
Base-Base interactions energy: -44.047
where: short stacking energy: -39.430
Base-Backbone interact. energy: -0.405
local terms energy: -73.601957
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -134.452117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.452117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.452117 (E_RNA)
where:
Base-Base interactions energy: -56.128
where: short stacking energy: -39.366
Base-Backbone interact. energy: -0.556
local terms energy: -77.768624
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -380.775802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.775802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.775802 (E_RNA)
where:
Base-Base interactions energy: -250.909
where: short stacking energy: -103.206
Base-Backbone interact. energy: -0.745
local terms energy: -129.122035
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -33.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -335.714036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.714036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.714036 (E_RNA)
where:
Base-Base interactions energy: -216.866
where: short stacking energy: -94.547
Base-Backbone interact. energy: -0.446
local terms energy: -118.402058
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -27.325
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -29.512
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: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -349.344441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.344441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.344441 (E_RNA)
where:
Base-Base interactions energy: -225.959
where: short stacking energy: -105.528
Base-Backbone interact. energy: -0.056
local terms energy: -123.328983
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -30.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -315.639384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.639384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.639384 (E_RNA)
where:
Base-Base interactions energy: -205.504
where: short stacking energy: -86.489
Base-Backbone interact. energy: -0.126
local terms energy: -110.009451
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -22.593
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: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -274.952057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.952057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.952057 (E_RNA)
where:
Base-Base interactions energy: -174.748
where: short stacking energy: -86.577
Base-Backbone interact. energy: -0.022
local terms energy: -100.182477
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -21.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -274.675652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.675652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.675652 (E_RNA)
where:
Base-Base interactions energy: -183.096
where: short stacking energy: -83.281
Base-Backbone interact. energy: -0.193
local terms energy: -91.387150
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -19.643
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: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -264.371013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.371013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.371013 (E_RNA)
where:
Base-Base interactions energy: -165.331
where: short stacking energy: -76.713
Base-Backbone interact. energy: -0.169
local terms energy: -98.870922
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -26.198
flat angles P-C4'-P energy: -12.162
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: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -260.407084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.407084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.407084 (E_RNA)
where:
Base-Base interactions energy: -166.325
where: short stacking energy: -77.169
Base-Backbone interact. energy: -0.024
local terms energy: -94.057577
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -133.499366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.499366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.499366 (E_RNA)
where:
Base-Base interactions energy: -50.052
where: short stacking energy: -42.971
Base-Backbone interact. energy: -0.979
local terms energy: -82.468178
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -106.265187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.265187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.265187 (E_RNA)
where:
Base-Base interactions energy: -32.563
where: short stacking energy: -16.065
Base-Backbone interact. energy: -0.503
local terms energy: -73.198962
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -27.969
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: 8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -347.020726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.020726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.020726 (E_RNA)
where:
Base-Base interactions energy: -230.298
where: short stacking energy: -111.425
Base-Backbone interact. energy: -0.199
local terms energy: -116.523735
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -24.157
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -29.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -375.120549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.120549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.120549 (E_RNA)
where:
Base-Base interactions energy: -256.224
where: short stacking energy: -108.127
Base-Backbone interact. energy: -0.986
local terms energy: -117.910607
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -32.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -339.092001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.092001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.092001 (E_RNA)
where:
Base-Base interactions energy: -224.699
where: short stacking energy: -92.571
Base-Backbone interact. energy: -0.113
local terms energy: -114.279890
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -343.724982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.724982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.724982 (E_RNA)
where:
Base-Base interactions energy: -224.832
where: short stacking energy: -102.321
Base-Backbone interact. energy: -0.125
local terms energy: -118.768626
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -27.078
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -26.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -283.118090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.118090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.118090 (E_RNA)
where:
Base-Base interactions energy: -172.144
where: short stacking energy: -83.064
Base-Backbone interact. energy: -0.898
local terms energy: -110.076626
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -17.128
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: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -256.712880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.712880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.712880 (E_RNA)
where:
Base-Base interactions energy: -155.328
where: short stacking energy: -70.213
Base-Backbone interact. energy: -0.181
local terms energy: -101.204584
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -267.918373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.918373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.918373 (E_RNA)
where:
Base-Base interactions energy: -165.558
where: short stacking energy: -74.259
Base-Backbone interact. energy: -0.371
local terms energy: -101.988773
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -21.624
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -231.503776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.503776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.503776 (E_RNA)
where:
Base-Base interactions energy: -144.484
where: short stacking energy: -58.201
Base-Backbone interact. energy: -0.324
local terms energy: -86.695811
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -13.329
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: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -114.107423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.107423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.107423 (E_RNA)
where:
Base-Base interactions energy: -39.813
where: short stacking energy: -36.340
Base-Backbone interact. energy: -0.145
local terms energy: -74.149202
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -2.643
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: 2
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -136.961671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.961671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.961671 (E_RNA)
where:
Base-Base interactions energy: -53.014
where: short stacking energy: -44.227
Base-Backbone interact. energy: -0.599
local terms energy: -83.348703
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -336.654109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.654109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.654109 (E_RNA)
where:
Base-Base interactions energy: -215.580
where: short stacking energy: -108.590
Base-Backbone interact. energy: -0.600
local terms energy: -120.474794
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -27.291
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -28.198
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: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -370.022127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.022127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.022127 (E_RNA)
where:
Base-Base interactions energy: -252.135
where: short stacking energy: -100.683
Base-Backbone interact. energy: -1.492
local terms energy: -116.394771
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -27.039
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: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -326.079758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.079758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.079758 (E_RNA)
where:
Base-Base interactions energy: -229.363
where: short stacking energy: -94.025
Base-Backbone interact. energy: -0.209
local terms energy: -96.507792
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -353.651615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.651615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.651615 (E_RNA)
where:
Base-Base interactions energy: -223.025
where: short stacking energy: -110.257
Base-Backbone interact. energy: -0.108
local terms energy: -130.518749
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -34.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -284.405337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.405337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.405337 (E_RNA)
where:
Base-Base interactions energy: -170.469
where: short stacking energy: -89.299
Base-Backbone interact. energy: -0.967
local terms energy: -112.968833
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -28.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -279.970888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.970888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.970888 (E_RNA)
where:
Base-Base interactions energy: -176.227
where: short stacking energy: -92.294
Base-Backbone interact. energy: -0.092
local terms energy: -103.652028
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -25.619
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -25.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -260.399589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.399589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.399589 (E_RNA)
where:
Base-Base interactions energy: -164.745
where: short stacking energy: -78.609
Base-Backbone interact. energy: -0.427
local terms energy: -95.227900
where:
bonds (distance) C4'-P energy: -27.219
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -254.339975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.339975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.339975 (E_RNA)
where:
Base-Base interactions energy: -154.319
where: short stacking energy: -68.553
Base-Backbone interact. energy: -0.716
local terms energy: -99.304348
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -14.962
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: 181
Temperature: 1.300000
Total energy: -115.428194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.428194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.428194 (E_RNA)
where:
Base-Base interactions energy: -42.695
where: short stacking energy: -36.862
Base-Backbone interact. energy: 0.243
local terms energy: -72.976115
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -17.224
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: 181
Temperature: 1.350000
Total energy: -123.572979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.572979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.572979 (E_RNA)
where:
Base-Base interactions energy: -54.732
where: short stacking energy: -42.077
Base-Backbone interact. energy: 1.557
local terms energy: -70.398368
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: 4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -346.478187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.478187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.478187 (E_RNA)
where:
Base-Base interactions energy: -220.727
where: short stacking energy: -117.126
Base-Backbone interact. energy: -0.001
local terms energy: -125.750250
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -24.805
flat angles C4'-P-C4' energy: -29.549
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -34.189
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: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -366.078823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.078823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.078823 (E_RNA)
where:
Base-Base interactions energy: -239.413
where: short stacking energy: -102.528
Base-Backbone interact. energy: -0.511
local terms energy: -126.155605
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -31.839
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: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -350.974384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.974384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.974384 (E_RNA)
where:
Base-Base interactions energy: -224.396
where: short stacking energy: -109.540
Base-Backbone interact. energy: -0.731
local terms energy: -125.847049
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -18.262
tors. eta vs tors. theta energy: -34.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -299.071288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.071288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.071288 (E_RNA)
where:
Base-Base interactions energy: -198.666
where: short stacking energy: -79.314
Base-Backbone interact. energy: -0.376
local terms energy: -100.029300
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -278.783671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.783671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.783671 (E_RNA)
where:
Base-Base interactions energy: -167.463
where: short stacking energy: -82.733
Base-Backbone interact. energy: -1.617
local terms energy: -109.703823
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -24.365
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: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -276.672644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.672644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.672644 (E_RNA)
where:
Base-Base interactions energy: -171.701
where: short stacking energy: -82.678
Base-Backbone interact. energy: -0.014
local terms energy: -104.957653
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -23.302
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -22.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -242.899709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.899709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.899709 (E_RNA)
where:
Base-Base interactions energy: -143.465
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.810
local terms energy: -98.624823
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -245.366219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.366219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.366219 (E_RNA)
where:
Base-Base interactions energy: -137.836
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.044
local terms energy: -107.486355
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -118.707397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.707397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.707397 (E_RNA)
where:
Base-Base interactions energy: -39.747
where: short stacking energy: -27.561
Base-Backbone interact. energy: -1.978
local terms energy: -76.982332
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: 0.896
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: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -106.831984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.831984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.831984 (E_RNA)
where:
Base-Base interactions energy: -40.570
where: short stacking energy: -36.081
Base-Backbone interact. energy: -0.164
local terms energy: -66.098277
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: 2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -331.938139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.938139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.938139 (E_RNA)
where:
Base-Base interactions energy: -213.142
where: short stacking energy: -99.466
Base-Backbone interact. energy: -0.124
local terms energy: -118.672686
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -30.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -355.848938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.848938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.848938 (E_RNA)
where:
Base-Base interactions energy: -227.026
where: short stacking energy: -109.008
Base-Backbone interact. energy: 1.431
local terms energy: -130.253544
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -27.484
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -34.735
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: 183
Temperature: 1.000000
Total energy: -366.199832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.199832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.199832 (E_RNA)
where:
Base-Base interactions energy: -243.715
where: short stacking energy: -111.111
Base-Backbone interact. energy: 0.368
local terms energy: -122.852241
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -25.813
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -33.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -292.856097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.856097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.856097 (E_RNA)
where:
Base-Base interactions energy: -180.931
where: short stacking energy: -87.119
Base-Backbone interact. energy: -0.275
local terms energy: -111.649589
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -20.503
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: 183
Temperature: 1.100000
Total energy: -292.088694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.088694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.088694 (E_RNA)
where:
Base-Base interactions energy: -186.664
where: short stacking energy: -92.888
Base-Backbone interact. energy: -1.023
local terms energy: -104.402048
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -12.363
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: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -256.180758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.180758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.180758 (E_RNA)
where:
Base-Base interactions energy: -157.852
where: short stacking energy: -75.178
Base-Backbone interact. energy: -0.058
local terms energy: -98.270720
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -248.379598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.379598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.379598 (E_RNA)
where:
Base-Base interactions energy: -160.890
where: short stacking energy: -76.684
Base-Backbone interact. energy: 0.615
local terms energy: -88.104667
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -263.182965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.182965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.182965 (E_RNA)
where:
Base-Base interactions energy: -165.156
where: short stacking energy: -84.328
Base-Backbone interact. energy: -0.255
local terms energy: -97.771897
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -112.693105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.693105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.693105 (E_RNA)
where:
Base-Base interactions energy: -60.461
where: short stacking energy: -33.832
Base-Backbone interact. energy: 6.593
local terms energy: -58.824999
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: 5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -107.145968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.145968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.145968 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.329
local terms energy: -71.000131
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: 4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -363.213986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.213986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.213986 (E_RNA)
where:
Base-Base interactions energy: -228.881
where: short stacking energy: -119.842
Base-Backbone interact. energy: -0.871
local terms energy: -133.462142
where:
bonds (distance) C4'-P energy: -24.749
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -27.972
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -35.223
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: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -312.611261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.611261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.611261 (E_RNA)
where:
Base-Base interactions energy: -206.161
where: short stacking energy: -93.679
Base-Backbone interact. energy: -0.097
local terms energy: -106.353599
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -27.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -358.249197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.249197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.249197 (E_RNA)
where:
Base-Base interactions energy: -234.259
where: short stacking energy: -97.297
Base-Backbone interact. energy: -0.318
local terms energy: -123.672466
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -30.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -298.454438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.454438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.454438 (E_RNA)
where:
Base-Base interactions energy: -188.786
where: short stacking energy: -85.616
Base-Backbone interact. energy: -0.527
local terms energy: -109.141263
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -27.102
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -24.160
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: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -279.904534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.904534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.904534 (E_RNA)
where:
Base-Base interactions energy: -183.962
where: short stacking energy: -71.545
Base-Backbone interact. energy: -0.329
local terms energy: -95.614160
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -21.766
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -298.009991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.009991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.009991 (E_RNA)
where:
Base-Base interactions energy: -188.391
where: short stacking energy: -84.613
Base-Backbone interact. energy: 0.483
local terms energy: -110.101801
where:
bonds (distance) C4'-P energy: -24.418
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -260.039570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.039570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.039570 (E_RNA)
where:
Base-Base interactions energy: -161.222
where: short stacking energy: -74.315
Base-Backbone interact. energy: 1.784
local terms energy: -100.601552
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -230.086311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.086311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.086311 (E_RNA)
where:
Base-Base interactions energy: -144.967
where: short stacking energy: -51.936
Base-Backbone interact. energy: -0.355
local terms energy: -84.764642
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -123.956344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.956344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.956344 (E_RNA)
where:
Base-Base interactions energy: -53.714
where: short stacking energy: -48.821
Base-Backbone interact. energy: -0.481
local terms energy: -69.761171
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -1.435
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: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -104.170983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.170983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.170983 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -36.610
Base-Backbone interact. energy: 2.080
local terms energy: -69.641199
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -27.181
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -370.249444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.249444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.249444 (E_RNA)
where:
Base-Base interactions energy: -239.852
where: short stacking energy: -117.278
Base-Backbone interact. energy: -0.804
local terms energy: -129.593288
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -26.717
flat angles C4'-P-C4' energy: -25.056
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -38.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -353.863847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.863847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.863847 (E_RNA)
where:
Base-Base interactions energy: -234.244
where: short stacking energy: -101.064
Base-Backbone interact. energy: 0.020
local terms energy: -119.640009
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -27.788
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -33.606
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: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -300.597632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.597632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.597632 (E_RNA)
where:
Base-Base interactions energy: -194.514
where: short stacking energy: -93.577
Base-Backbone interact. energy: -0.051
local terms energy: -106.032583
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -23.804
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: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -313.193660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.193660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.193660 (E_RNA)
where:
Base-Base interactions energy: -197.483
where: short stacking energy: -90.821
Base-Backbone interact. energy: -0.498
local terms energy: -115.212385
where:
bonds (distance) C4'-P energy: -25.515
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -16.191
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: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -264.290761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.290761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.290761 (E_RNA)
where:
Base-Base interactions energy: -165.737
where: short stacking energy: -68.128
Base-Backbone interact. energy: 0.077
local terms energy: -98.631335
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -28.687
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -270.078172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.078172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.078172 (E_RNA)
where:
Base-Base interactions energy: -183.240
where: short stacking energy: -91.921
Base-Backbone interact. energy: -0.363
local terms energy: -86.474906
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -261.883233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.883233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.883233 (E_RNA)
where:
Base-Base interactions energy: -173.200
where: short stacking energy: -71.370
Base-Backbone interact. energy: -0.466
local terms energy: -88.217157
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -5.302
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: 185
Temperature: 1.250000
Total energy: -214.962923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.962923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.962923 (E_RNA)
where:
Base-Base interactions energy: -134.494
where: short stacking energy: -56.893
Base-Backbone interact. energy: -0.276
local terms energy: -80.193178
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -126.085016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.085016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.085016 (E_RNA)
where:
Base-Base interactions energy: -59.432
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.715
local terms energy: -65.937837
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -13.760
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: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -112.901016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.901016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.901016 (E_RNA)
where:
Base-Base interactions energy: -37.306
where: short stacking energy: -36.061
Base-Backbone interact. energy: 0.263
local terms energy: -75.858104
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -376.309997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.309997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.309997 (E_RNA)
where:
Base-Base interactions energy: -243.988
where: short stacking energy: -121.591
Base-Backbone interact. energy: -0.075
local terms energy: -132.247572
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -30.351
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -36.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -356.052319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.052319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.052319 (E_RNA)
where:
Base-Base interactions energy: -232.631
where: short stacking energy: -94.205
Base-Backbone interact. energy: -0.844
local terms energy: -122.577227
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -31.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -301.006821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.006821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.006821 (E_RNA)
where:
Base-Base interactions energy: -198.533
where: short stacking energy: -93.397
Base-Backbone interact. energy: -0.375
local terms energy: -102.098123
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -310.689051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.689051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.689051 (E_RNA)
where:
Base-Base interactions energy: -198.813
where: short stacking energy: -94.007
Base-Backbone interact. energy: -0.289
local terms energy: -111.587138
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -284.866268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.866268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.866268 (E_RNA)
where:
Base-Base interactions energy: -179.181
where: short stacking energy: -86.329
Base-Backbone interact. energy: -0.682
local terms energy: -105.003134
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -263.961517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.961517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.961517 (E_RNA)
where:
Base-Base interactions energy: -162.655
where: short stacking energy: -79.456
Base-Backbone interact. energy: -0.161
local terms energy: -101.146032
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -290.042041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.042041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.042041 (E_RNA)
where:
Base-Base interactions energy: -185.555
where: short stacking energy: -85.312
Base-Backbone interact. energy: -0.419
local terms energy: -104.067861
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -26.838
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -221.794117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.794117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.794117 (E_RNA)
where:
Base-Base interactions energy: -132.948
where: short stacking energy: -66.697
Base-Backbone interact. energy: -0.820
local terms energy: -88.026426
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -136.588720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.588720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.588720 (E_RNA)
where:
Base-Base interactions energy: -56.116
where: short stacking energy: -52.082
Base-Backbone interact. energy: -0.273
local terms energy: -80.199810
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -14.549
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: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -103.066930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.066930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.066930 (E_RNA)
where:
Base-Base interactions energy: -31.968
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.173
local terms energy: -70.926726
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: 1.913
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: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -374.781465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.781465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.781465 (E_RNA)
where:
Base-Base interactions energy: -245.380
where: short stacking energy: -122.580
Base-Backbone interact. energy: -0.064
local terms energy: -129.337301
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -37.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -352.880301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.880301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.880301 (E_RNA)
where:
Base-Base interactions energy: -229.163
where: short stacking energy: -98.574
Base-Backbone interact. energy: -0.134
local terms energy: -123.582706
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -28.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -309.722739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.722739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.722739 (E_RNA)
where:
Base-Base interactions energy: -190.071
where: short stacking energy: -87.558
Base-Backbone interact. energy: -0.610
local terms energy: -119.041447
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -18.673
tors. eta vs tors. theta energy: -22.034
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: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -324.494766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.494766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.494766 (E_RNA)
where:
Base-Base interactions energy: -208.734
where: short stacking energy: -103.042
Base-Backbone interact. energy: -1.983
local terms energy: -113.777645
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -33.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -275.418554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.418554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.418554 (E_RNA)
where:
Base-Base interactions energy: -172.908
where: short stacking energy: -72.275
Base-Backbone interact. energy: -0.232
local terms energy: -102.278669
where:
bonds (distance) C4'-P energy: -25.691
bonds (distance) P-C4' energy: -24.223
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -12.616
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: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -272.945993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.945993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.945993 (E_RNA)
where:
Base-Base interactions energy: -169.069
where: short stacking energy: -60.131
Base-Backbone interact. energy: -1.887
local terms energy: -101.990653
where:
bonds (distance) C4'-P energy: -26.544
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -28.998
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -247.239019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.239019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.239019 (E_RNA)
where:
Base-Base interactions energy: -151.686
where: short stacking energy: -73.412
Base-Backbone interact. energy: -0.859
local terms energy: -94.694376
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -123.110993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.110993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.110993 (E_RNA)
where:
Base-Base interactions energy: -43.985
where: short stacking energy: -30.564
Base-Backbone interact. energy: 0.484
local terms energy: -79.610122
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: 1.008
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: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -243.886376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.886376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.886376 (E_RNA)
where:
Base-Base interactions energy: -156.295
where: short stacking energy: -63.471
Base-Backbone interact. energy: 2.477
local terms energy: -90.068010
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -117.299689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.299689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.299689 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -35.824
Base-Backbone interact. energy: -0.314
local terms energy: -80.086826
where:
bonds (distance) C4'-P energy: -25.706
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -2.152
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: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -365.247117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.247117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.247117 (E_RNA)
where:
Base-Base interactions energy: -237.866
where: short stacking energy: -99.890
Base-Backbone interact. energy: -1.873
local terms energy: -125.507800
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -26.046
flat angles C4'-P-C4' energy: -28.392
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -27.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -366.786819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.786819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.786819 (E_RNA)
where:
Base-Base interactions energy: -236.831
where: short stacking energy: -113.398
Base-Backbone interact. energy: -0.776
local terms energy: -129.180045
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -26.731
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -35.422
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: 7
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -304.120789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.120789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.120789 (E_RNA)
where:
Base-Base interactions energy: -202.190
where: short stacking energy: -89.068
Base-Backbone interact. energy: -0.269
local terms energy: -101.662054
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -23.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -313.173217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.173217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.173217 (E_RNA)
where:
Base-Base interactions energy: -201.221
where: short stacking energy: -92.300
Base-Backbone interact. energy: -0.193
local terms energy: -111.759041
where:
bonds (distance) C4'-P energy: -24.230
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -26.556
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -24.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -282.774978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.774978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.774978 (E_RNA)
where:
Base-Base interactions energy: -181.616
where: short stacking energy: -79.618
Base-Backbone interact. energy: -0.301
local terms energy: -100.857448
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -26.379
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -256.864936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.864936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.864936 (E_RNA)
where:
Base-Base interactions energy: -160.339
where: short stacking energy: -79.621
Base-Backbone interact. energy: -0.178
local terms energy: -96.347278
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -15.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -255.970168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.970168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.970168 (E_RNA)
where:
Base-Base interactions energy: -160.363
where: short stacking energy: -78.590
Base-Backbone interact. energy: -0.086
local terms energy: -95.520418
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -17.273
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: 8, replica: 2
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -122.069300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.069300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.069300 (E_RNA)
where:
Base-Base interactions energy: -38.903
where: short stacking energy: -34.209
Base-Backbone interact. energy: -0.620
local terms energy: -82.545391
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -18.444
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: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -243.515546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.515546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.515546 (E_RNA)
where:
Base-Base interactions energy: -162.023
where: short stacking energy: -71.356
Base-Backbone interact. energy: -0.353
local terms energy: -81.139910
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -14.070
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: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -114.345540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.345540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.345540 (E_RNA)
where:
Base-Base interactions energy: -43.807
where: short stacking energy: -32.351
Base-Backbone interact. energy: -1.669
local terms energy: -68.869089
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: 4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -363.376867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.376867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.376867 (E_RNA)
where:
Base-Base interactions energy: -244.432
where: short stacking energy: -97.785
Base-Backbone interact. energy: -0.098
local terms energy: -118.846653
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -31.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -348.113936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.113936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.113936 (E_RNA)
where:
Base-Base interactions energy: -225.497
where: short stacking energy: -103.795
Base-Backbone interact. energy: -0.571
local terms energy: -122.046178
where:
bonds (distance) C4'-P energy: -26.223
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -29.470
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -34.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -313.168028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.168028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.168028 (E_RNA)
where:
Base-Base interactions energy: -207.962
where: short stacking energy: -96.566
Base-Backbone interact. energy: -0.491
local terms energy: -104.715343
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -27.936
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -27.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -298.200145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.200145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.200145 (E_RNA)
where:
Base-Base interactions energy: -185.008
where: short stacking energy: -81.572
Base-Backbone interact. energy: -0.225
local terms energy: -112.966656
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -25.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -279.772331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.772331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.772331 (E_RNA)
where:
Base-Base interactions energy: -180.733
where: short stacking energy: -81.601
Base-Backbone interact. energy: -0.529
local terms energy: -98.510478
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -13.287
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: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -264.409953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.409953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.409953 (E_RNA)
where:
Base-Base interactions energy: -173.018
where: short stacking energy: -81.854
Base-Backbone interact. energy: -0.857
local terms energy: -90.534271
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -261.072702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.072702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.072702 (E_RNA)
where:
Base-Base interactions energy: -161.776
where: short stacking energy: -77.113
Base-Backbone interact. energy: -0.350
local terms energy: -98.946503
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -238.110771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.110771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.110771 (E_RNA)
where:
Base-Base interactions energy: -142.688
where: short stacking energy: -71.454
Base-Backbone interact. energy: 1.192
local terms energy: -96.614867
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -122.227690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.227690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.227690 (E_RNA)
where:
Base-Base interactions energy: -60.091
where: short stacking energy: -38.409
Base-Backbone interact. energy: -0.970
local terms energy: -61.167015
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: 1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -135.691129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.691129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.691129 (E_RNA)
where:
Base-Base interactions energy: -62.872
where: short stacking energy: -46.894
Base-Backbone interact. energy: 1.962
local terms energy: -74.780938
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -1.773
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: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -355.897036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.897036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.897036 (E_RNA)
where:
Base-Base interactions energy: -235.657
where: short stacking energy: -102.098
Base-Backbone interact. energy: 2.465
local terms energy: -122.705121
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -28.974
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -27.506
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: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -361.797578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.797578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.797578 (E_RNA)
where:
Base-Base interactions energy: -232.169
where: short stacking energy: -108.979
Base-Backbone interact. energy: -0.776
local terms energy: -128.852876
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -32.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -312.005534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.005534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.005534 (E_RNA)
where:
Base-Base interactions energy: -204.653
where: short stacking energy: -82.018
Base-Backbone interact. energy: -0.054
local terms energy: -107.298187
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -282.079060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.079060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.079060 (E_RNA)
where:
Base-Base interactions energy: -176.539
where: short stacking energy: -91.962
Base-Backbone interact. energy: -0.065
local terms energy: -105.475136
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -291.313191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.313191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.313191 (E_RNA)
where:
Base-Base interactions energy: -187.584
where: short stacking energy: -74.556
Base-Backbone interact. energy: -0.562
local terms energy: -103.167615
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -16.536
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: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -280.879971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.879971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.879971 (E_RNA)
where:
Base-Base interactions energy: -174.578
where: short stacking energy: -83.173
Base-Backbone interact. energy: -3.198
local terms energy: -103.103750
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -25.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -253.300518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.300518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.300518 (E_RNA)
where:
Base-Base interactions energy: -158.203
where: short stacking energy: -68.108
Base-Backbone interact. energy: -0.325
local terms energy: -94.772283
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -25.944
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -263.676255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.676255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.676255 (E_RNA)
where:
Base-Base interactions energy: -166.964
where: short stacking energy: -71.655
Base-Backbone interact. energy: -0.749
local terms energy: -95.963095
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -23.570
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: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -109.974340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.974340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.974340 (E_RNA)
where:
Base-Base interactions energy: -43.197
where: short stacking energy: -35.792
Base-Backbone interact. energy: 0.758
local terms energy: -67.535428
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: 7.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -129.529551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.529551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.529551 (E_RNA)
where:
Base-Base interactions energy: -55.157
where: short stacking energy: -43.074
Base-Backbone interact. energy: -0.110
local terms energy: -74.262306
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -368.705838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.705838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.705838 (E_RNA)
where:
Base-Base interactions energy: -237.105
where: short stacking energy: -100.665
Base-Backbone interact. energy: -1.118
local terms energy: -130.483192
where:
bonds (distance) C4'-P energy: -28.233
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: -32.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -352.082215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.082215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.082215 (E_RNA)
where:
Base-Base interactions energy: -226.072
where: short stacking energy: -99.896
Base-Backbone interact. energy: -0.155
local terms energy: -125.855043
where:
bonds (distance) C4'-P energy: -28.371
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -16.266
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: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -322.878271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.878271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.878271 (E_RNA)
where:
Base-Base interactions energy: -208.421
where: short stacking energy: -99.447
Base-Backbone interact. energy: 0.013
local terms energy: -114.470277
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -25.499
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -28.585
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: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -299.308152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.308152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.308152 (E_RNA)
where:
Base-Base interactions energy: -196.182
where: short stacking energy: -102.012
Base-Backbone interact. energy: -0.312
local terms energy: -102.814129
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -24.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -300.637741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.637741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.637741 (E_RNA)
where:
Base-Base interactions energy: -190.532
where: short stacking energy: -90.680
Base-Backbone interact. energy: -0.619
local terms energy: -109.486928
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -287.152360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.152360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.152360 (E_RNA)
where:
Base-Base interactions energy: -185.746
where: short stacking energy: -89.252
Base-Backbone interact. energy: -0.023
local terms energy: -101.383150
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -27.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -262.856841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.856841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.856841 (E_RNA)
where:
Base-Base interactions energy: -161.924
where: short stacking energy: -72.047
Base-Backbone interact. energy: -0.553
local terms energy: -100.379807
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -128.920639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.920639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.920639 (E_RNA)
where:
Base-Base interactions energy: -46.056
where: short stacking energy: -46.056
Base-Backbone interact. energy: -0.238
local terms energy: -82.626886
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -26.892
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -220.158935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.158935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.158935 (E_RNA)
where:
Base-Base interactions energy: -135.297
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.644
local terms energy: -84.218024
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -7.551
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: 2
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -114.618652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.618652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.618652 (E_RNA)
where:
Base-Base interactions energy: -50.694
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.239
local terms energy: -63.685576
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: 4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -348.425398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.425398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.425398 (E_RNA)
where:
Base-Base interactions energy: -220.020
where: short stacking energy: -103.500
Base-Backbone interact. energy: -0.171
local terms energy: -128.234792
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -33.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -355.671587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.671587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.671587 (E_RNA)
where:
Base-Base interactions energy: -227.420
where: short stacking energy: -96.392
Base-Backbone interact. energy: -2.248
local terms energy: -126.003480
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -34.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -308.313314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.313314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.313314 (E_RNA)
where:
Base-Base interactions energy: -199.001
where: short stacking energy: -101.763
Base-Backbone interact. energy: -0.071
local terms energy: -109.240614
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -30.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -300.217899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.217899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.217899 (E_RNA)
where:
Base-Base interactions energy: -179.515
where: short stacking energy: -84.497
Base-Backbone interact. energy: -1.144
local terms energy: -119.557987
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -23.249
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -23.331
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: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -293.343797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.343797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.343797 (E_RNA)
where:
Base-Base interactions energy: -187.781
where: short stacking energy: -81.570
Base-Backbone interact. energy: 0.319
local terms energy: -105.881974
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -10.312
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: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -285.281452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.281452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.281452 (E_RNA)
where:
Base-Base interactions energy: -181.937
where: short stacking energy: -77.090
Base-Backbone interact. energy: -0.423
local terms energy: -102.920777
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -261.899000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.899000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.899000 (E_RNA)
where:
Base-Base interactions energy: -163.393
where: short stacking energy: -82.126
Base-Backbone interact. energy: -0.049
local terms energy: -98.457662
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -131.890021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.890021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.890021 (E_RNA)
where:
Base-Base interactions energy: -36.214
where: short stacking energy: -36.214
Base-Backbone interact. energy: 0.262
local terms energy: -95.938316
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -26.354
flat angles C4'-P-C4' energy: -26.680
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -240.804069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.804069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.804069 (E_RNA)
where:
Base-Base interactions energy: -153.342
where: short stacking energy: -61.875
Base-Backbone interact. energy: -0.226
local terms energy: -87.236207
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -13.799
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: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -112.542439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.542439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.542439 (E_RNA)
where:
Base-Base interactions energy: -52.244
where: short stacking energy: -44.964
Base-Backbone interact. energy: -0.702
local terms energy: -59.596870
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -348.484453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.484453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.484453 (E_RNA)
where:
Base-Base interactions energy: -228.242
where: short stacking energy: -101.959
Base-Backbone interact. energy: -1.052
local terms energy: -119.190168
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -315.592323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.592323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.592323 (E_RNA)
where:
Base-Base interactions energy: -192.414
where: short stacking energy: -97.413
Base-Backbone interact. energy: -0.202
local terms energy: -122.976384
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -25.249
flat angles C4'-P-C4' energy: -28.741
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -29.382
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: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -334.769824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.769824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.769824 (E_RNA)
where:
Base-Base interactions energy: -216.056
where: short stacking energy: -87.873
Base-Backbone interact. energy: -0.496
local terms energy: -118.217873
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -23.469
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -27.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -289.530888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.530888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.530888 (E_RNA)
where:
Base-Base interactions energy: -183.013
where: short stacking energy: -89.236
Base-Backbone interact. energy: 0.957
local terms energy: -107.474820
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -21.255
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -270.688678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.688678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.688678 (E_RNA)
where:
Base-Base interactions energy: -173.991
where: short stacking energy: -82.280
Base-Backbone interact. energy: -0.020
local terms energy: -96.677871
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -21.791
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: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -291.276000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.276000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.276000 (E_RNA)
where:
Base-Base interactions energy: -193.269
where: short stacking energy: -98.495
Base-Backbone interact. energy: 0.378
local terms energy: -98.385131
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -13.181
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: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -248.969697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.969697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.969697 (E_RNA)
where:
Base-Base interactions energy: -158.022
where: short stacking energy: -72.783
Base-Backbone interact. energy: -0.361
local terms energy: -90.586901
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -238.115431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.115431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.115431 (E_RNA)
where:
Base-Base interactions energy: -160.781
where: short stacking energy: -75.202
Base-Backbone interact. energy: 0.334
local terms energy: -77.668419
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -157.696286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.696286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.696286 (E_RNA)
where:
Base-Base interactions energy: -84.742
where: short stacking energy: -54.590
Base-Backbone interact. energy: -0.603
local terms energy: -72.352040
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -24.527
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -118.621920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.621920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.621920 (E_RNA)
where:
Base-Base interactions energy: -40.558
where: short stacking energy: -31.631
Base-Backbone interact. energy: -0.568
local terms energy: -77.495913
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -25.269
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -354.120596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.120596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.120596 (E_RNA)
where:
Base-Base interactions energy: -223.388
where: short stacking energy: -104.465
Base-Backbone interact. energy: -1.251
local terms energy: -129.481779
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -28.110
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -30.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -321.313883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.313883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.313883 (E_RNA)
where:
Base-Base interactions energy: -201.889
where: short stacking energy: -102.044
Base-Backbone interact. energy: -0.009
local terms energy: -119.415995
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -26.875
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -22.946
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: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -337.447464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.447464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.447464 (E_RNA)
where:
Base-Base interactions energy: -226.223
where: short stacking energy: -99.841
Base-Backbone interact. energy: -1.319
local terms energy: -109.904963
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -27.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -298.071269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.071269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.071269 (E_RNA)
where:
Base-Base interactions energy: -190.553
where: short stacking energy: -98.224
Base-Backbone interact. energy: -0.340
local terms energy: -107.178372
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -23.006
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -288.528429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.528429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.528429 (E_RNA)
where:
Base-Base interactions energy: -173.966
where: short stacking energy: -91.243
Base-Backbone interact. energy: -0.118
local terms energy: -114.443824
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -14.754
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: 6, replica: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -269.592913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.592913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.592913 (E_RNA)
where:
Base-Base interactions energy: -167.777
where: short stacking energy: -75.472
Base-Backbone interact. energy: -0.564
local terms energy: -101.251706
where:
bonds (distance) C4'-P energy: -25.222
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -261.618693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.618693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.618693 (E_RNA)
where:
Base-Base interactions energy: -175.267
where: short stacking energy: -78.908
Base-Backbone interact. energy: 0.914
local terms energy: -87.264828
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -17.144
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: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -257.225899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.225899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.225899 (E_RNA)
where:
Base-Base interactions energy: -157.134
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.113
local terms energy: -99.978316
where:
bonds (distance) C4'-P energy: -23.480
bonds (distance) P-C4' energy: -25.524
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -124.498704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.498704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.498704 (E_RNA)
where:
Base-Base interactions energy: -41.737
where: short stacking energy: -27.014
Base-Backbone interact. energy: -0.440
local terms energy: -82.321747
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -24.823
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -112.360116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.360116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.360116 (E_RNA)
where:
Base-Base interactions energy: -31.628
where: short stacking energy: -30.004
Base-Backbone interact. energy: -0.063
local terms energy: -80.668820
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -360.464105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.464105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.464105 (E_RNA)
where:
Base-Base interactions energy: -231.509
where: short stacking energy: -119.500
Base-Backbone interact. energy: -0.473
local terms energy: -128.482071
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -34.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -357.399091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.399091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.399091 (E_RNA)
where:
Base-Base interactions energy: -234.328
where: short stacking energy: -101.196
Base-Backbone interact. energy: -0.953
local terms energy: -122.118380
where:
bonds (distance) C4'-P energy: -26.114
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -33.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -329.305232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.305232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.305232 (E_RNA)
where:
Base-Base interactions energy: -202.639
where: short stacking energy: -103.363
Base-Backbone interact. energy: 0.230
local terms energy: -126.895957
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -26.430
flat angles C4'-P-C4' energy: -29.030
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -31.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -302.769195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.769195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.769195 (E_RNA)
where:
Base-Base interactions energy: -183.163
where: short stacking energy: -98.682
Base-Backbone interact. energy: -0.003
local terms energy: -119.603045
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -26.785
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: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -283.165876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.165876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.165876 (E_RNA)
where:
Base-Base interactions energy: -176.688
where: short stacking energy: -88.273
Base-Backbone interact. energy: -0.591
local terms energy: -105.887198
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -17.351
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: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -253.684668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.684668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.684668 (E_RNA)
where:
Base-Base interactions energy: -149.830
where: short stacking energy: -69.804
Base-Backbone interact. energy: -1.320
local terms energy: -102.535319
where:
bonds (distance) C4'-P energy: -25.658
bonds (distance) P-C4' energy: -28.442
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -13.542
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: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -277.982035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.982035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.982035 (E_RNA)
where:
Base-Base interactions energy: -181.903
where: short stacking energy: -77.068
Base-Backbone interact. energy: -0.168
local terms energy: -95.910978
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -13.148
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: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -256.064930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.064930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.064930 (E_RNA)
where:
Base-Base interactions energy: -160.166
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.214
local terms energy: -95.685579
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -117.196778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.196778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.196778 (E_RNA)
where:
Base-Base interactions energy: -42.826
where: short stacking energy: -38.063
Base-Backbone interact. energy: 1.813
local terms energy: -76.184039
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -106.199894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.199894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.199894 (E_RNA)
where:
Base-Base interactions energy: -30.378
where: short stacking energy: -26.925
Base-Backbone interact. energy: -0.495
local terms energy: -75.326580
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -3.427
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: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -380.797320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.797320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.797320 (E_RNA)
where:
Base-Base interactions energy: -244.675
where: short stacking energy: -102.499
Base-Backbone interact. energy: 0.471
local terms energy: -136.592879
where:
bonds (distance) C4'-P energy: -28.817
bonds (distance) P-C4' energy: -29.244
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -35.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -359.015882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.015882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.015882 (E_RNA)
where:
Base-Base interactions energy: -226.451
where: short stacking energy: -115.641
Base-Backbone interact. energy: -0.592
local terms energy: -131.972242
where:
bonds (distance) C4'-P energy: -26.544
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -22.344
tors. eta vs tors. theta energy: -31.434
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: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -284.089749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.089749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.089749 (E_RNA)
where:
Base-Base interactions energy: -168.695
where: short stacking energy: -75.923
Base-Backbone interact. energy: -0.804
local terms energy: -114.590275
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -302.468676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.468676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.468676 (E_RNA)
where:
Base-Base interactions energy: -193.783
where: short stacking energy: -92.228
Base-Backbone interact. energy: -1.197
local terms energy: -107.488730
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -25.481
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: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -264.987749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.987749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.987749 (E_RNA)
where:
Base-Base interactions energy: -166.255
where: short stacking energy: -72.970
Base-Backbone interact. energy: -1.891
local terms energy: -96.841847
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -22.930
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -273.462051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.462051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.462051 (E_RNA)
where:
Base-Base interactions energy: -179.938
where: short stacking energy: -72.626
Base-Backbone interact. energy: -0.093
local terms energy: -93.431891
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -273.921673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.921673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.921673 (E_RNA)
where:
Base-Base interactions energy: -172.513
where: short stacking energy: -86.327
Base-Backbone interact. energy: -0.237
local terms energy: -101.171745
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -251.646292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.646292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.646292 (E_RNA)
where:
Base-Base interactions energy: -153.221
where: short stacking energy: -64.318
Base-Backbone interact. energy: -0.603
local terms energy: -97.822038
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -28.769
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -129.106335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.106335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.106335 (E_RNA)
where:
Base-Base interactions energy: -48.534
where: short stacking energy: -47.820
Base-Backbone interact. energy: 0.978
local terms energy: -81.549956
where:
bonds (distance) C4'-P energy: -25.038
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -122.620852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.620852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.620852 (E_RNA)
where:
Base-Base interactions energy: -39.348
where: short stacking energy: -35.000
Base-Backbone interact. energy: -0.249
local terms energy: -83.023626
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -368.836128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.836128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.836128 (E_RNA)
where:
Base-Base interactions energy: -238.529
where: short stacking energy: -98.841
Base-Backbone interact. energy: -0.035
local terms energy: -130.272182
where:
bonds (distance) C4'-P energy: -30.639
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -31.389
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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -356.270660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.270660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.270660 (E_RNA)
where:
Base-Base interactions energy: -227.229
where: short stacking energy: -111.335
Base-Backbone interact. energy: -0.026
local terms energy: -129.015785
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -32.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -300.958626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.958626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.958626 (E_RNA)
where:
Base-Base interactions energy: -186.962
where: short stacking energy: -78.775
Base-Backbone interact. energy: 0.324
local terms energy: -114.320755
where:
bonds (distance) C4'-P energy: -28.044
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -312.707253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.707253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.707253 (E_RNA)
where:
Base-Base interactions energy: -196.546
where: short stacking energy: -90.412
Base-Backbone interact. energy: -0.136
local terms energy: -116.025375
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -25.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -271.807747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.807747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.807747 (E_RNA)
where:
Base-Base interactions energy: -165.035
where: short stacking energy: -77.798
Base-Backbone interact. energy: -0.841
local terms energy: -105.932084
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -25.088
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -15.454
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: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -284.550238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.550238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.550238 (E_RNA)
where:
Base-Base interactions energy: -167.129
where: short stacking energy: -84.153
Base-Backbone interact. energy: 0.611
local terms energy: -118.032210
where:
bonds (distance) C4'-P energy: -27.697
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -19.563
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: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -294.032563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.032563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.032563 (E_RNA)
where:
Base-Base interactions energy: -203.788
where: short stacking energy: -88.192
Base-Backbone interact. energy: -0.223
local terms energy: -90.021543
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -10.203
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: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -228.728690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.728690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.728690 (E_RNA)
where:
Base-Base interactions energy: -131.696
where: short stacking energy: -59.049
Base-Backbone interact. energy: -1.252
local terms energy: -95.781313
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -175.840387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.840387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.840387 (E_RNA)
where:
Base-Base interactions energy: -94.630
where: short stacking energy: -49.290
Base-Backbone interact. energy: 1.609
local terms energy: -82.818938
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -119.131611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.131611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.131611 (E_RNA)
where:
Base-Base interactions energy: -47.993
where: short stacking energy: -29.519
Base-Backbone interact. energy: -1.581
local terms energy: -69.558209
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: 0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -359.126958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.126958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.126958 (E_RNA)
where:
Base-Base interactions energy: -227.292
where: short stacking energy: -112.158
Base-Backbone interact. energy: -0.002
local terms energy: -131.832572
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -29.253
flat angles P-C4'-P energy: -19.720
tors. eta vs tors. theta energy: -33.588
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: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -374.256362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.256362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.256362 (E_RNA)
where:
Base-Base interactions energy: -248.894
where: short stacking energy: -106.662
Base-Backbone interact. energy: -0.348
local terms energy: -125.013584
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -25.743
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -34.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -317.334844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.334844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.334844 (E_RNA)
where:
Base-Base interactions energy: -202.243
where: short stacking energy: -96.557
Base-Backbone interact. energy: -1.111
local terms energy: -113.980837
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -24.820
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -23.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -302.551566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.551566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.551566 (E_RNA)
where:
Base-Base interactions energy: -199.721
where: short stacking energy: -91.528
Base-Backbone interact. energy: -0.176
local terms energy: -102.653995
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -17.722
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: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -278.989635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.989635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.989635 (E_RNA)
where:
Base-Base interactions energy: -171.868
where: short stacking energy: -80.685
Base-Backbone interact. energy: -0.093
local terms energy: -107.028135
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -266.298946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.298946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.298946 (E_RNA)
where:
Base-Base interactions energy: -165.915
where: short stacking energy: -67.954
Base-Backbone interact. energy: 1.210
local terms energy: -101.594053
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -276.756425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.756425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.756425 (E_RNA)
where:
Base-Base interactions energy: -176.064
where: short stacking energy: -78.578
Base-Backbone interact. energy: -0.468
local terms energy: -100.224472
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -27.000
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -223.376474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.376474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.376474 (E_RNA)
where:
Base-Base interactions energy: -138.216
where: short stacking energy: -62.784
Base-Backbone interact. energy: 0.181
local terms energy: -85.340954
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -202.361338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.361338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.361338 (E_RNA)
where:
Base-Base interactions energy: -130.603
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.327
local terms energy: -71.430860
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -112.345124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.345124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.345124 (E_RNA)
where:
Base-Base interactions energy: -44.367
where: short stacking energy: -43.281
Base-Backbone interact. energy: 3.639
local terms energy: -71.616927
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -369.066634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.066634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.066634 (E_RNA)
where:
Base-Base interactions energy: -246.180
where: short stacking energy: -115.967
Base-Backbone interact. energy: -0.355
local terms energy: -122.530958
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -31.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -369.812905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.812905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.812905 (E_RNA)
where:
Base-Base interactions energy: -243.759
where: short stacking energy: -108.443
Base-Backbone interact. energy: -1.301
local terms energy: -124.753201
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -31.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -332.930951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.930951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.930951 (E_RNA)
where:
Base-Base interactions energy: -215.955
where: short stacking energy: -106.561
Base-Backbone interact. energy: -0.358
local terms energy: -116.618117
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -32.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -296.536543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.536543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.536543 (E_RNA)
where:
Base-Base interactions energy: -190.970
where: short stacking energy: -108.087
Base-Backbone interact. energy: -0.189
local terms energy: -105.377469
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -25.931
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: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -283.979010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.979010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.979010 (E_RNA)
where:
Base-Base interactions energy: -181.860
where: short stacking energy: -86.936
Base-Backbone interact. energy: -0.449
local terms energy: -101.669721
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -23.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -282.926497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.926497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.926497 (E_RNA)
where:
Base-Base interactions energy: -183.808
where: short stacking energy: -81.917
Base-Backbone interact. energy: -1.479
local terms energy: -97.639462
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -23.596
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: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -279.309732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.309732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.309732 (E_RNA)
where:
Base-Base interactions energy: -178.244
where: short stacking energy: -79.951
Base-Backbone interact. energy: -0.406
local terms energy: -100.659922
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -22.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -231.852773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.852773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.852773 (E_RNA)
where:
Base-Base interactions energy: -134.511
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.067
local terms energy: -97.275086
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -226.189016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.189016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.189016 (E_RNA)
where:
Base-Base interactions energy: -137.562
where: short stacking energy: -62.902
Base-Backbone interact. energy: 4.419
local terms energy: -93.046007
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -109.386937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.386937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.386937 (E_RNA)
where:
Base-Base interactions energy: -39.966
where: short stacking energy: -31.629
Base-Backbone interact. energy: -0.193
local terms energy: -69.228473
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -383.965700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.965700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.965700 (E_RNA)
where:
Base-Base interactions energy: -259.186
where: short stacking energy: -112.364
Base-Backbone interact. energy: -0.968
local terms energy: -123.811764
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -31.769
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: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -358.907983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.907983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.907983 (E_RNA)
where:
Base-Base interactions energy: -230.097
where: short stacking energy: -110.624
Base-Backbone interact. energy: -0.726
local terms energy: -128.084275
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -20.927
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: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -306.601286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.601286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.601286 (E_RNA)
where:
Base-Base interactions energy: -185.283
where: short stacking energy: -93.466
Base-Backbone interact. energy: -0.361
local terms energy: -120.957165
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -26.655
flat angles C4'-P-C4' energy: -28.569
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -24.746
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: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -302.370497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.370497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.370497 (E_RNA)
where:
Base-Base interactions energy: -191.007
where: short stacking energy: -89.221
Base-Backbone interact. energy: 0.316
local terms energy: -111.680352
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -24.369
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: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -274.180508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.180508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.180508 (E_RNA)
where:
Base-Base interactions energy: -172.977
where: short stacking energy: -73.194
Base-Backbone interact. energy: -1.164
local terms energy: -100.039270
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -18.169
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: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -282.438146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.438146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.438146 (E_RNA)
where:
Base-Base interactions energy: -172.728
where: short stacking energy: -87.719
Base-Backbone interact. energy: -0.686
local terms energy: -109.024199
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -23.469
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -21.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -256.992521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.992521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.992521 (E_RNA)
where:
Base-Base interactions energy: -161.285
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.227
local terms energy: -95.479830
where:
bonds (distance) C4'-P energy: -22.232
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -215.552086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.552086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.552086 (E_RNA)
where:
Base-Base interactions energy: -130.094
where: short stacking energy: -60.104
Base-Backbone interact. energy: -0.293
local terms energy: -85.165015
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -26.664
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -243.439160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.439160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.439160 (E_RNA)
where:
Base-Base interactions energy: -150.940
where: short stacking energy: -61.863
Base-Backbone interact. energy: -0.512
local terms energy: -91.987023
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -108.074395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.074395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.074395 (E_RNA)
where:
Base-Base interactions energy: -22.186
where: short stacking energy: -23.186
Base-Backbone interact. energy: -0.922
local terms energy: -84.966448
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -380.740181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.740181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.740181 (E_RNA)
where:
Base-Base interactions energy: -251.156
where: short stacking energy: -105.864
Base-Backbone interact. energy: -2.231
local terms energy: -127.353980
where:
bonds (distance) C4'-P energy: -27.223
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -27.082
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -35.672
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: 201
Temperature: 0.950000
Total energy: -308.030742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.030742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.030742 (E_RNA)
where:
Base-Base interactions energy: -196.528
where: short stacking energy: -86.061
Base-Backbone interact. energy: -0.366
local terms energy: -111.136543
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -28.879
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -23.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -347.210739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.210739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.210739 (E_RNA)
where:
Base-Base interactions energy: -222.238
where: short stacking energy: -97.262
Base-Backbone interact. energy: -0.887
local terms energy: -124.085738
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -28.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -314.019686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.019686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.019686 (E_RNA)
where:
Base-Base interactions energy: -205.614
where: short stacking energy: -94.964
Base-Backbone interact. energy: -0.970
local terms energy: -107.436336
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -26.592
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -27.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -287.284829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.284829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.284829 (E_RNA)
where:
Base-Base interactions energy: -194.974
where: short stacking energy: -86.199
Base-Backbone interact. energy: 0.136
local terms energy: -92.446790
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -18.616
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: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -263.114031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.114031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.114031 (E_RNA)
where:
Base-Base interactions energy: -167.847
where: short stacking energy: -88.423
Base-Backbone interact. energy: -0.116
local terms energy: -95.150117
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -8.947
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: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -247.711802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.711802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.711802 (E_RNA)
where:
Base-Base interactions energy: -174.903
where: short stacking energy: -71.781
Base-Backbone interact. energy: -0.689
local terms energy: -72.119830
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -2.292
tors. eta vs tors. theta energy: -13.990
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: 201
Temperature: 1.250000
Total energy: -225.821564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.821564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.821564 (E_RNA)
where:
Base-Base interactions energy: -135.658
where: short stacking energy: -62.744
Base-Backbone interact. energy: -0.462
local terms energy: -89.701588
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -187.816880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.816880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.816880 (E_RNA)
where:
Base-Base interactions energy: -102.132
where: short stacking energy: -34.752
Base-Backbone interact. energy: -0.719
local terms energy: -84.965955
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -116.994736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.994736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.994736 (E_RNA)
where:
Base-Base interactions energy: -44.616
where: short stacking energy: -30.202
Base-Backbone interact. energy: -0.350
local terms energy: -72.028664
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -2.981
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: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -382.199411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.199411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.199411 (E_RNA)
where:
Base-Base interactions energy: -250.981
where: short stacking energy: -104.958
Base-Backbone interact. energy: -0.720
local terms energy: -130.498124
where:
bonds (distance) C4'-P energy: -27.863
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -35.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -318.356170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.356170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.356170 (E_RNA)
where:
Base-Base interactions energy: -199.538
where: short stacking energy: -93.352
Base-Backbone interact. energy: -0.089
local terms energy: -118.729003
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -28.250
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -27.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -360.197244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.197244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.197244 (E_RNA)
where:
Base-Base interactions energy: -235.633
where: short stacking energy: -105.865
Base-Backbone interact. energy: -1.557
local terms energy: -123.006632
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -26.073
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -31.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -312.312255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.312255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.312255 (E_RNA)
where:
Base-Base interactions energy: -200.425
where: short stacking energy: -91.405
Base-Backbone interact. energy: 1.680
local terms energy: -113.567952
where:
bonds (distance) C4'-P energy: -25.105
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -26.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -295.903333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.903333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.903333 (E_RNA)
where:
Base-Base interactions energy: -197.471
where: short stacking energy: -85.776
Base-Backbone interact. energy: 5.464
local terms energy: -103.896534
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -269.566447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.566447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.566447 (E_RNA)
where:
Base-Base interactions energy: -167.444
where: short stacking energy: -86.929
Base-Backbone interact. energy: -0.109
local terms energy: -102.013937
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -26.636
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: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -249.067586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.067586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.067586 (E_RNA)
where:
Base-Base interactions energy: -146.409
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.050
local terms energy: -102.608644
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -14.131
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: 202
Temperature: 1.250000
Total energy: -229.032486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.032486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.032486 (E_RNA)
where:
Base-Base interactions energy: -138.676
where: short stacking energy: -63.174
Base-Backbone interact. energy: -0.436
local terms energy: -89.920374
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -184.452275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.452275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.452275 (E_RNA)
where:
Base-Base interactions energy: -107.104
where: short stacking energy: -52.467
Base-Backbone interact. energy: -0.284
local terms energy: -77.063987
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -9.188
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: 10, replica: 2
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -119.265289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.265289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.265289 (E_RNA)
where:
Base-Base interactions energy: -44.358
where: short stacking energy: -43.584
Base-Backbone interact. energy: -0.286
local terms energy: -74.621702
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -370.574398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.574398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.574398 (E_RNA)
where:
Base-Base interactions energy: -239.530
where: short stacking energy: -97.187
Base-Backbone interact. energy: -0.209
local terms energy: -130.835212
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -33.232
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: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -368.525148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.525148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.525148 (E_RNA)
where:
Base-Base interactions energy: -243.748
where: short stacking energy: -115.968
Base-Backbone interact. energy: 0.418
local terms energy: -125.195197
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -34.258
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: 203
Temperature: 1.000000
Total energy: -318.330833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.330833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.330833 (E_RNA)
where:
Base-Base interactions energy: -203.748
where: short stacking energy: -98.592
Base-Backbone interact. energy: -0.098
local terms energy: -114.484476
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -24.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -297.865625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.865625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.865625 (E_RNA)
where:
Base-Base interactions energy: -189.134
where: short stacking energy: -83.489
Base-Backbone interact. energy: -0.395
local terms energy: -108.336864
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -23.710
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -23.799
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: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -286.570375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.570375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.570375 (E_RNA)
where:
Base-Base interactions energy: -179.566
where: short stacking energy: -79.919
Base-Backbone interact. energy: -0.023
local terms energy: -106.981573
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -26.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -270.196988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.196988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.196988 (E_RNA)
where:
Base-Base interactions energy: -169.234
where: short stacking energy: -80.909
Base-Backbone interact. energy: -0.051
local terms energy: -100.912403
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -280.179509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.179509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.179509 (E_RNA)
where:
Base-Base interactions energy: -171.006
where: short stacking energy: -85.375
Base-Backbone interact. energy: -0.117
local terms energy: -109.055872
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -242.226109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.226109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.226109 (E_RNA)
where:
Base-Base interactions energy: -159.021
where: short stacking energy: -56.653
Base-Backbone interact. energy: -0.661
local terms energy: -82.544661
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -9.982
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: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -180.215787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.215787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.215787 (E_RNA)
where:
Base-Base interactions energy: -90.154
where: short stacking energy: -39.223
Base-Backbone interact. energy: 1.557
local terms energy: -91.618725
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -7.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -110.866617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.866617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.866617 (E_RNA)
where:
Base-Base interactions energy: -45.090
where: short stacking energy: -32.981
Base-Backbone interact. energy: -0.059
local terms energy: -65.718010
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: 2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -369.520835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.520835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.520835 (E_RNA)
where:
Base-Base interactions energy: -244.728
where: short stacking energy: -107.981
Base-Backbone interact. energy: -0.457
local terms energy: -124.335852
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -33.038
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: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -365.658972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.658972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.658972 (E_RNA)
where:
Base-Base interactions energy: -235.406
where: short stacking energy: -110.340
Base-Backbone interact. energy: -0.687
local terms energy: -129.565715
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -25.237
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -32.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -320.932781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.932781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.932781 (E_RNA)
where:
Base-Base interactions energy: -212.700
where: short stacking energy: -105.382
Base-Backbone interact. energy: -0.197
local terms energy: -108.035040
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -27.224
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: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -322.550364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.550364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.550364 (E_RNA)
where:
Base-Base interactions energy: -207.393
where: short stacking energy: -102.660
Base-Backbone interact. energy: -0.148
local terms energy: -115.009534
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -24.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -278.436359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.436359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.436359 (E_RNA)
where:
Base-Base interactions energy: -177.048
where: short stacking energy: -78.710
Base-Backbone interact. energy: -2.104
local terms energy: -99.284054
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -263.495851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.495851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.495851 (E_RNA)
where:
Base-Base interactions energy: -165.961
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.152
local terms energy: -97.382276
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -16.610
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: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -278.307657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.307657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.307657 (E_RNA)
where:
Base-Base interactions energy: -173.120
where: short stacking energy: -77.217
Base-Backbone interact. energy: -0.410
local terms energy: -104.777847
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -19.320
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: 204
Temperature: 1.250000
Total energy: -243.524920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.524920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.524920 (E_RNA)
where:
Base-Base interactions energy: -151.882
where: short stacking energy: -60.512
Base-Backbone interact. energy: -0.059
local terms energy: -91.584141
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -164.273859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.273859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.273859 (E_RNA)
where:
Base-Base interactions energy: -82.513
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.997
local terms energy: -80.764710
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -11.689
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: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -118.553937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.553937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.553937 (E_RNA)
where:
Base-Base interactions energy: -37.439
where: short stacking energy: -33.406
Base-Backbone interact. energy: -0.402
local terms energy: -80.713721
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
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: -242.413
where: short stacking energy: -108.906
Base-Backbone interact. energy: -0.064
local terms energy: -120.304661
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -30.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -358.918516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.918516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.918516 (E_RNA)
where:
Base-Base interactions energy: -231.934
where: short stacking energy: -111.492
Base-Backbone interact. energy: -0.072
local terms energy: -126.912616
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -29.347
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -37.460
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: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -308.321661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.321661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.321661 (E_RNA)
where:
Base-Base interactions energy: -195.313
where: short stacking energy: -99.735
Base-Backbone interact. energy: -0.086
local terms energy: -112.922261
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -26.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -303.400802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.400802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.400802 (E_RNA)
where:
Base-Base interactions energy: -185.217
where: short stacking energy: -80.211
Base-Backbone interact. energy: -0.176
local terms energy: -118.007683
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -27.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -296.750762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.750762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.750762 (E_RNA)
where:
Base-Base interactions energy: -187.052
where: short stacking energy: -82.705
Base-Backbone interact. energy: -0.696
local terms energy: -109.003293
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -18.178
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: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -279.078973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.078973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.078973 (E_RNA)
where:
Base-Base interactions energy: -171.967
where: short stacking energy: -89.880
Base-Backbone interact. energy: -0.119
local terms energy: -106.993374
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -262.008151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.008151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.008151 (E_RNA)
where:
Base-Base interactions energy: -158.124
where: short stacking energy: -73.303
Base-Backbone interact. energy: -0.430
local terms energy: -103.454119
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -252.018310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.018310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.018310 (E_RNA)
where:
Base-Base interactions energy: -159.377
where: short stacking energy: -79.167
Base-Backbone interact. energy: -0.178
local terms energy: -92.463644
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -133.319809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.319809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.319809 (E_RNA)
where:
Base-Base interactions energy: -64.257
where: short stacking energy: -38.766
Base-Backbone interact. energy: -0.296
local terms energy: -68.766656
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -3.276
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: 2
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -110.399961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.399961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.399961 (E_RNA)
where:
Base-Base interactions energy: -48.741
where: short stacking energy: -33.558
Base-Backbone interact. energy: 3.273
local terms energy: -64.932795
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -378.844372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.844372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.844372 (E_RNA)
where:
Base-Base interactions energy: -242.610
where: short stacking energy: -123.212
Base-Backbone interact. energy: -0.031
local terms energy: -136.204068
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -26.218
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -36.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -360.971474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.971474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.971474 (E_RNA)
where:
Base-Base interactions energy: -244.292
where: short stacking energy: -97.381
Base-Backbone interact. energy: -0.599
local terms energy: -116.079810
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -29.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -300.176308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.176308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.176308 (E_RNA)
where:
Base-Base interactions energy: -190.082
where: short stacking energy: -100.074
Base-Backbone interact. energy: -0.008
local terms energy: -110.086499
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -26.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -308.862114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.862114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.862114 (E_RNA)
where:
Base-Base interactions energy: -195.796
where: short stacking energy: -98.042
Base-Backbone interact. energy: -0.038
local terms energy: -113.027802
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -27.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -293.755710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.755710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.755710 (E_RNA)
where:
Base-Base interactions energy: -189.596
where: short stacking energy: -79.148
Base-Backbone interact. energy: -0.926
local terms energy: -103.233626
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -25.355
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: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -278.609493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.609493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.609493 (E_RNA)
where:
Base-Base interactions energy: -168.331
where: short stacking energy: -83.256
Base-Backbone interact. energy: -0.151
local terms energy: -110.127938
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -242.233711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.233711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.233711 (E_RNA)
where:
Base-Base interactions energy: -151.658
where: short stacking energy: -67.828
Base-Backbone interact. energy: -0.170
local terms energy: -90.406212
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -207.256440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.256440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.256440 (E_RNA)
where:
Base-Base interactions energy: -133.430
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.304
local terms energy: -73.522455
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -128.453330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.453330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.453330 (E_RNA)
where:
Base-Base interactions energy: -50.386
where: short stacking energy: -40.054
Base-Backbone interact. energy: -0.195
local terms energy: -77.871951
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -121.523137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.523137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.523137 (E_RNA)
where:
Base-Base interactions energy: -47.674
where: short stacking energy: -34.945
Base-Backbone interact. energy: -0.303
local terms energy: -73.546399
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -370.781403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.781403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.781403 (E_RNA)
where:
Base-Base interactions energy: -235.267
where: short stacking energy: -115.125
Base-Backbone interact. energy: -0.444
local terms energy: -135.069702
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -29.890
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -36.773
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: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -368.776974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.776974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.776974 (E_RNA)
where:
Base-Base interactions energy: -247.311
where: short stacking energy: -100.207
Base-Backbone interact. energy: -0.061
local terms energy: -121.404201
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -28.886
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: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -311.689779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.689779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.689779 (E_RNA)
where:
Base-Base interactions energy: -197.226
where: short stacking energy: -102.827
Base-Backbone interact. energy: -0.116
local terms energy: -114.348080
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -28.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -321.650353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.650353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.650353 (E_RNA)
where:
Base-Base interactions energy: -201.502
where: short stacking energy: -100.990
Base-Backbone interact. energy: -0.336
local terms energy: -119.812878
where:
bonds (distance) C4'-P energy: -26.901
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -30.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -274.739761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.739761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.739761 (E_RNA)
where:
Base-Base interactions energy: -166.417
where: short stacking energy: -73.486
Base-Backbone interact. energy: -0.229
local terms energy: -108.093455
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -25.155
flat angles P-C4'-P energy: -18.234
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -270.245439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.245439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.245439 (E_RNA)
where:
Base-Base interactions energy: -165.996
where: short stacking energy: -78.205
Base-Backbone interact. energy: -0.687
local terms energy: -103.562914
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -252.620651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.620651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.620651 (E_RNA)
where:
Base-Base interactions energy: -161.999
where: short stacking energy: -76.867
Base-Backbone interact. energy: 1.746
local terms energy: -92.367965
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -229.773568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.773568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.773568 (E_RNA)
where:
Base-Base interactions energy: -143.027
where: short stacking energy: -75.379
Base-Backbone interact. energy: -0.224
local terms energy: -86.522750
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -136.019934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.019934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.019934 (E_RNA)
where:
Base-Base interactions energy: -52.220
where: short stacking energy: -46.897
Base-Backbone interact. energy: -0.478
local terms energy: -83.321479
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -7.058
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: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -105.671239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.671239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.671239 (E_RNA)
where:
Base-Base interactions energy: -39.718
where: short stacking energy: -30.841
Base-Backbone interact. energy: -0.325
local terms energy: -65.628233
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -26.130
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: 7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -365.636786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.636786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.636786 (E_RNA)
where:
Base-Base interactions energy: -253.423
where: short stacking energy: -107.100
Base-Backbone interact. energy: -0.369
local terms energy: -111.844546
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -26.040
flat angles C4'-P-C4' energy: -28.427
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -33.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -367.752184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.752184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.752184 (E_RNA)
where:
Base-Base interactions energy: -240.188
where: short stacking energy: -121.067
Base-Backbone interact. energy: -0.404
local terms energy: -127.160005
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -24.237
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -33.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -324.504456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.504456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.504456 (E_RNA)
where:
Base-Base interactions energy: -206.550
where: short stacking energy: -101.442
Base-Backbone interact. energy: -0.151
local terms energy: -117.803736
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -31.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -283.992232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.992232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.992232 (E_RNA)
where:
Base-Base interactions energy: -180.454
where: short stacking energy: -97.825
Base-Backbone interact. energy: -0.030
local terms energy: -103.508640
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -265.730387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.730387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.730387 (E_RNA)
where:
Base-Base interactions energy: -168.995
where: short stacking energy: -83.136
Base-Backbone interact. energy: 3.384
local terms energy: -100.119119
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -265.720986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.720986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.720986 (E_RNA)
where:
Base-Base interactions energy: -169.643
where: short stacking energy: -80.990
Base-Backbone interact. energy: -0.282
local terms energy: -95.796204
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -249.470700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.470700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.470700 (E_RNA)
where:
Base-Base interactions energy: -156.495
where: short stacking energy: -71.682
Base-Backbone interact. energy: 1.280
local terms energy: -94.255535
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -25.136
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -15.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -227.070128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.070128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.070128 (E_RNA)
where:
Base-Base interactions energy: -137.215
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.130
local terms energy: -89.725403
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -118.332103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.332103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.332103 (E_RNA)
where:
Base-Base interactions energy: -39.034
where: short stacking energy: -34.278
Base-Backbone interact. energy: 1.714
local terms energy: -81.012083
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: 0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -115.880808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.880808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.880808 (E_RNA)
where:
Base-Base interactions energy: -34.779
where: short stacking energy: -34.779
Base-Backbone interact. energy: 1.289
local terms energy: -82.391035
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -377.598431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.598431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.598431 (E_RNA)
where:
Base-Base interactions energy: -249.192
where: short stacking energy: -111.035
Base-Backbone interact. energy: -0.022
local terms energy: -128.384385
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -35.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -325.467663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.467663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.467663 (E_RNA)
where:
Base-Base interactions energy: -212.418
where: short stacking energy: -90.167
Base-Backbone interact. energy: -1.142
local terms energy: -111.907320
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -26.194
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -354.168957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.168957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.168957 (E_RNA)
where:
Base-Base interactions energy: -225.522
where: short stacking energy: -111.322
Base-Backbone interact. energy: -0.031
local terms energy: -128.616706
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -29.288
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -32.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -324.147585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.147585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.147585 (E_RNA)
where:
Base-Base interactions energy: -216.888
where: short stacking energy: -96.008
Base-Backbone interact. energy: -0.046
local terms energy: -107.213887
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -24.860
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: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -288.990746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.990746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.990746 (E_RNA)
where:
Base-Base interactions energy: -178.894
where: short stacking energy: -89.506
Base-Backbone interact. energy: -0.009
local terms energy: -110.087844
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -25.156
flat angles C4'-P-C4' energy: -25.393
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -279.262767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.262767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.262767 (E_RNA)
where:
Base-Base interactions energy: -170.687
where: short stacking energy: -82.475
Base-Backbone interact. energy: -0.137
local terms energy: -108.438906
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -26.559
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -225.869237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.869237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.869237 (E_RNA)
where:
Base-Base interactions energy: -135.429
where: short stacking energy: -67.646
Base-Backbone interact. energy: 1.147
local terms energy: -91.587320
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -242.128452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.128452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.128452 (E_RNA)
where:
Base-Base interactions energy: -144.435
where: short stacking energy: -63.931
Base-Backbone interact. energy: -0.105
local terms energy: -97.588921
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -114.540600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.540600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.540600 (E_RNA)
where:
Base-Base interactions energy: -34.211
where: short stacking energy: -33.265
Base-Backbone interact. energy: -0.775
local terms energy: -79.554210
where:
bonds (distance) C4'-P energy: -25.245
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -115.557512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.557512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.557512 (E_RNA)
where:
Base-Base interactions energy: -41.772
where: short stacking energy: -35.970
Base-Backbone interact. energy: -0.307
local terms energy: -73.478511
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -378.740798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.740798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.740798 (E_RNA)
where:
Base-Base interactions energy: -251.762
where: short stacking energy: -99.628
Base-Backbone interact. energy: 0.104
local terms energy: -127.082716
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -26.586
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -34.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -352.869433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.869433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.869433 (E_RNA)
where:
Base-Base interactions energy: -228.911
where: short stacking energy: -99.921
Base-Backbone interact. energy: -0.861
local terms energy: -123.097692
where:
bonds (distance) C4'-P energy: -27.986
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -28.736
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: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -326.597954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.597954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.597954 (E_RNA)
where:
Base-Base interactions energy: -210.185
where: short stacking energy: -105.115
Base-Backbone interact. energy: -0.551
local terms energy: -115.861187
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -20.276
tors. eta vs tors. theta energy: -29.800
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: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -335.281080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.281080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.281080 (E_RNA)
where:
Base-Base interactions energy: -212.292
where: short stacking energy: -94.786
Base-Backbone interact. energy: -0.220
local terms energy: -122.769172
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -26.979
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -31.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -297.219216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.219216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.219216 (E_RNA)
where:
Base-Base interactions energy: -182.029
where: short stacking energy: -82.903
Base-Backbone interact. energy: -0.816
local terms energy: -114.374064
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -18.671
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: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -260.087554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.087554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.087554 (E_RNA)
where:
Base-Base interactions energy: -166.880
where: short stacking energy: -73.986
Base-Backbone interact. energy: -0.357
local terms energy: -92.850609
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -253.179076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.179076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.179076 (E_RNA)
where:
Base-Base interactions energy: -158.885
where: short stacking energy: -63.822
Base-Backbone interact. energy: -0.111
local terms energy: -94.183152
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -14.870
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: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -208.954683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.954683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.954683 (E_RNA)
where:
Base-Base interactions energy: -127.840
where: short stacking energy: -69.958
Base-Backbone interact. energy: 0.450
local terms energy: -81.564356
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -10.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -127.928969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.928969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.928969 (E_RNA)
where:
Base-Base interactions energy: -55.915
where: short stacking energy: -46.511
Base-Backbone interact. energy: -1.104
local terms energy: -70.909881
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: 2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -113.858850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.858850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.858850 (E_RNA)
where:
Base-Base interactions energy: -34.308
where: short stacking energy: -34.308
Base-Backbone interact. energy: -0.837
local terms energy: -78.714149
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -14.462
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: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -370.713682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.713682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.713682 (E_RNA)
where:
Base-Base interactions energy: -249.573
where: short stacking energy: -102.817
Base-Backbone interact. energy: 0.235
local terms energy: -121.376053
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -25.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -339.821557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.821557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.821557 (E_RNA)
where:
Base-Base interactions energy: -217.016
where: short stacking energy: -113.453
Base-Backbone interact. energy: -0.247
local terms energy: -122.558743
where:
bonds (distance) C4'-P energy: -24.237
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -32.058
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: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -336.845002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.845002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.845002 (E_RNA)
where:
Base-Base interactions energy: -216.164
where: short stacking energy: -100.389
Base-Backbone interact. energy: -0.229
local terms energy: -120.452033
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -29.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -334.537211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.537211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.537211 (E_RNA)
where:
Base-Base interactions energy: -218.725
where: short stacking energy: -87.574
Base-Backbone interact. energy: -1.142
local terms energy: -114.670322
where:
bonds (distance) C4'-P energy: -24.175
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -26.032
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -27.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -293.668052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.668052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.668052 (E_RNA)
where:
Base-Base interactions energy: -180.336
where: short stacking energy: -86.865
Base-Backbone interact. energy: -0.760
local terms energy: -112.571977
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -19.687
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: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -235.054385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.054385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.054385 (E_RNA)
where:
Base-Base interactions energy: -139.593
where: short stacking energy: -62.132
Base-Backbone interact. energy: -0.559
local terms energy: -94.902184
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -21.764
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -262.045933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.045933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.045933 (E_RNA)
where:
Base-Base interactions energy: -173.087
where: short stacking energy: -79.086
Base-Backbone interact. energy: -0.086
local terms energy: -88.872802
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -242.895541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.895541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.895541 (E_RNA)
where:
Base-Base interactions energy: -150.940
where: short stacking energy: -60.630
Base-Backbone interact. energy: -0.888
local terms energy: -91.067436
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -142.369952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.369952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.369952 (E_RNA)
where:
Base-Base interactions energy: -65.931
where: short stacking energy: -35.655
Base-Backbone interact. energy: 0.052
local terms energy: -76.490683
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -123.103840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.103840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.103840 (E_RNA)
where:
Base-Base interactions energy: -52.758
where: short stacking energy: -37.420
Base-Backbone interact. energy: -0.241
local terms energy: -70.104471
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: 3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -360.683077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.683077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.683077 (E_RNA)
where:
Base-Base interactions energy: -244.040
where: short stacking energy: -103.204
Base-Backbone interact. energy: 0.810
local terms energy: -117.453449
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -31.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -327.428311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.428311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.428311 (E_RNA)
where:
Base-Base interactions energy: -204.093
where: short stacking energy: -91.336
Base-Backbone interact. energy: -0.150
local terms energy: -123.186061
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -24.782
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -31.021
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: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -342.191903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.191903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.191903 (E_RNA)
where:
Base-Base interactions energy: -220.421
where: short stacking energy: -106.491
Base-Backbone interact. energy: -0.211
local terms energy: -121.559972
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -27.174
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -30.864
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: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -329.062489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.062489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.062489 (E_RNA)
where:
Base-Base interactions energy: -218.237
where: short stacking energy: -91.443
Base-Backbone interact. energy: -1.246
local terms energy: -109.578837
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -16.476
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: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -298.194504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.194504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.194504 (E_RNA)
where:
Base-Base interactions energy: -203.077
where: short stacking energy: -81.136
Base-Backbone interact. energy: -1.610
local terms energy: -93.507534
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -25.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -257.564647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.564647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.564647 (E_RNA)
where:
Base-Base interactions energy: -161.920
where: short stacking energy: -79.744
Base-Backbone interact. energy: 1.260
local terms energy: -96.904291
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -245.112749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.112749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.112749 (E_RNA)
where:
Base-Base interactions energy: -150.292
where: short stacking energy: -73.099
Base-Backbone interact. energy: -0.304
local terms energy: -94.516537
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -11.259
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: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -229.609568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.609568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.609568 (E_RNA)
where:
Base-Base interactions energy: -141.038
where: short stacking energy: -65.174
Base-Backbone interact. energy: -0.423
local terms energy: -88.148498
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -121.793134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.793134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.793134 (E_RNA)
where:
Base-Base interactions energy: -44.906
where: short stacking energy: -42.147
Base-Backbone interact. energy: -0.210
local terms energy: -76.677205
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -189.884653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.884653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.884653 (E_RNA)
where:
Base-Base interactions energy: -111.864
where: short stacking energy: -47.616
Base-Backbone interact. energy: 1.312
local terms energy: -79.332693
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -368.158692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.158692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.158692 (E_RNA)
where:
Base-Base interactions energy: -244.467
where: short stacking energy: -106.879
Base-Backbone interact. energy: -0.086
local terms energy: -123.605499
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -31.580
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: 2, replica: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -360.647549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.647549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.647549 (E_RNA)
where:
Base-Base interactions energy: -247.153
where: short stacking energy: -114.324
Base-Backbone interact. energy: -0.280
local terms energy: -113.214370
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -24.669
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -32.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -316.692839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.692839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.692839 (E_RNA)
where:
Base-Base interactions energy: -201.830
where: short stacking energy: -102.380
Base-Backbone interact. energy: -0.465
local terms energy: -114.397365
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -15.528
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: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -291.137823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.137823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.137823 (E_RNA)
where:
Base-Base interactions energy: -195.412
where: short stacking energy: -103.879
Base-Backbone interact. energy: 0.323
local terms energy: -96.049546
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -283.862386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.862386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.862386 (E_RNA)
where:
Base-Base interactions energy: -180.351
where: short stacking energy: -76.276
Base-Backbone interact. energy: -0.510
local terms energy: -103.001077
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -262.089432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.089432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.089432 (E_RNA)
where:
Base-Base interactions energy: -161.477
where: short stacking energy: -70.862
Base-Backbone interact. energy: -0.436
local terms energy: -100.176909
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -15.742
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: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -251.897928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.897928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.897928 (E_RNA)
where:
Base-Base interactions energy: -157.305
where: short stacking energy: -80.626
Base-Backbone interact. energy: 0.862
local terms energy: -95.455474
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -24.520
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: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -226.307638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.307638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.307638 (E_RNA)
where:
Base-Base interactions energy: -138.796
where: short stacking energy: -68.549
Base-Backbone interact. energy: 1.247
local terms energy: -88.758361
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -118.807587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.807587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.807587 (E_RNA)
where:
Base-Base interactions energy: -38.826
where: short stacking energy: -26.733
Base-Backbone interact. energy: -0.477
local terms energy: -79.504002
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -176.700012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.700012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.700012 (E_RNA)
where:
Base-Base interactions energy: -98.828
where: short stacking energy: -37.690
Base-Backbone interact. energy: -0.266
local terms energy: -77.606282
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -369.578861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.578861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.578861 (E_RNA)
where:
Base-Base interactions energy: -237.042
where: short stacking energy: -111.433
Base-Backbone interact. energy: -0.046
local terms energy: -132.491501
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -36.680
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: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -356.690508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.690508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.690508 (E_RNA)
where:
Base-Base interactions energy: -239.756
where: short stacking energy: -99.552
Base-Backbone interact. energy: -0.953
local terms energy: -115.982215
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -28.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -318.874979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.874979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.874979 (E_RNA)
where:
Base-Base interactions energy: -201.587
where: short stacking energy: -101.856
Base-Backbone interact. energy: -0.007
local terms energy: -117.281623
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -26.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -279.385944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.385944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.385944 (E_RNA)
where:
Base-Base interactions energy: -167.898
where: short stacking energy: -90.262
Base-Backbone interact. energy: -0.060
local terms energy: -111.427790
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -26.094
flat angles C4'-P-C4' energy: -29.757
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -256.702480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.702480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.702480 (E_RNA)
where:
Base-Base interactions energy: -158.410
where: short stacking energy: -79.075
Base-Backbone interact. energy: -1.297
local terms energy: -96.995934
where:
bonds (distance) C4'-P energy: -24.251
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -17.918
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: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -280.642707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.642707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.642707 (E_RNA)
where:
Base-Base interactions energy: -185.727
where: short stacking energy: -78.397
Base-Backbone interact. energy: -1.021
local terms energy: -93.894650
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -255.106761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.106761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.106761 (E_RNA)
where:
Base-Base interactions energy: -160.084
where: short stacking energy: -61.356
Base-Backbone interact. energy: 0.021
local terms energy: -95.043281
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -10.612
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: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -215.885882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.885882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.885882 (E_RNA)
where:
Base-Base interactions energy: -126.646
where: short stacking energy: -66.223
Base-Backbone interact. energy: -0.688
local terms energy: -88.552329
where:
bonds (distance) C4'-P energy: -23.473
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -201.436911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.436911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.436911 (E_RNA)
where:
Base-Base interactions energy: -117.012
where: short stacking energy: -52.877
Base-Backbone interact. energy: -1.170
local terms energy: -83.254596
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -127.377338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.377338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.377338 (E_RNA)
where:
Base-Base interactions energy: -55.176
where: short stacking energy: -44.695
Base-Backbone interact. energy: -0.346
local terms energy: -71.855996
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -370.976497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.976497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.976497 (E_RNA)
where:
Base-Base interactions energy: -238.572
where: short stacking energy: -120.373
Base-Backbone interact. energy: 0.565
local terms energy: -132.970185
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -34.752
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: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -336.092589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.092589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.092589 (E_RNA)
where:
Base-Base interactions energy: -208.529
where: short stacking energy: -116.223
Base-Backbone interact. energy: 0.194
local terms energy: -127.756865
where:
bonds (distance) C4'-P energy: -24.380
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -31.142
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: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -338.051075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.051075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.051075 (E_RNA)
where:
Base-Base interactions energy: -225.972
where: short stacking energy: -98.614
Base-Backbone interact. energy: -0.857
local terms energy: -111.222259
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -26.856
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -28.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -289.580244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.580244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.580244 (E_RNA)
where:
Base-Base interactions energy: -184.465
where: short stacking energy: -69.377
Base-Backbone interact. energy: 0.084
local terms energy: -105.198760
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -300.023338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.023338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.023338 (E_RNA)
where:
Base-Base interactions energy: -190.388
where: short stacking energy: -93.847
Base-Backbone interact. energy: -0.284
local terms energy: -109.351042
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -27.542
flat angles P-C4'-P energy: -16.215
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: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -287.385371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.385371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.385371 (E_RNA)
where:
Base-Base interactions energy: -195.559
where: short stacking energy: -80.701
Base-Backbone interact. energy: 0.826
local terms energy: -92.652306
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -14.556
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: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -267.096338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.096338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.096338 (E_RNA)
where:
Base-Base interactions energy: -165.316
where: short stacking energy: -75.255
Base-Backbone interact. energy: -0.069
local terms energy: -101.711259
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -22.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -213.600331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.600331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.600331 (E_RNA)
where:
Base-Base interactions energy: -123.090
where: short stacking energy: -64.531
Base-Backbone interact. energy: -0.177
local terms energy: -90.333641
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -204.744777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.744777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.744777 (E_RNA)
where:
Base-Base interactions energy: -114.859
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.280
local terms energy: -89.605361
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -11.103
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: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -107.045091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.045091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.045091 (E_RNA)
where:
Base-Base interactions energy: -36.256
where: short stacking energy: -33.768
Base-Backbone interact. energy: -0.077
local terms energy: -70.712213
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: 1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -360.659522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.659522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.659522 (E_RNA)
where:
Base-Base interactions energy: -234.006
where: short stacking energy: -114.461
Base-Backbone interact. energy: -0.005
local terms energy: -126.648657
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -36.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -345.701909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.701909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.701909 (E_RNA)
where:
Base-Base interactions energy: -210.342
where: short stacking energy: -118.199
Base-Backbone interact. energy: -0.238
local terms energy: -135.121870
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -21.642
tors. eta vs tors. theta energy: -35.120
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: 216
Temperature: 1.000000
Total energy: -355.676892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.676892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.676892 (E_RNA)
where:
Base-Base interactions energy: -236.148
where: short stacking energy: -94.719
Base-Backbone interact. energy: -0.305
local terms energy: -119.223865
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -31.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -291.353946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.353946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.353946 (E_RNA)
where:
Base-Base interactions energy: -173.559
where: short stacking energy: -81.961
Base-Backbone interact. energy: -0.435
local terms energy: -117.360211
where:
bonds (distance) C4'-P energy: -24.887
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -20.630
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: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -305.218815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.218815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.218815 (E_RNA)
where:
Base-Base interactions energy: -199.921
where: short stacking energy: -98.916
Base-Backbone interact. energy: -0.196
local terms energy: -105.102132
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -25.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -273.537909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.537909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.537909 (E_RNA)
where:
Base-Base interactions energy: -172.052
where: short stacking energy: -70.292
Base-Backbone interact. energy: -1.355
local terms energy: -100.130892
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -27.582
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -258.376616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.376616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.376616 (E_RNA)
where:
Base-Base interactions energy: -159.887
where: short stacking energy: -68.903
Base-Backbone interact. energy: -0.831
local terms energy: -97.658193
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -20.277
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: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -196.248177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.248177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.248177 (E_RNA)
where:
Base-Base interactions energy: -117.187
where: short stacking energy: -50.082
Base-Backbone interact. energy: 1.005
local terms energy: -80.065706
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -25.440
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -207.528056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.528056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.528056 (E_RNA)
where:
Base-Base interactions energy: -128.127
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.626
local terms energy: -78.775202
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -100.927699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.927699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.927699 (E_RNA)
where:
Base-Base interactions energy: -28.116
where: short stacking energy: -26.685
Base-Backbone interact. energy: -0.357
local terms energy: -72.454715
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: 5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -364.840270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.840270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.840270 (E_RNA)
where:
Base-Base interactions energy: -235.876
where: short stacking energy: -114.264
Base-Backbone interact. energy: -0.152
local terms energy: -128.812284
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -21.273
tors. eta vs tors. theta energy: -34.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -362.706096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.706096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.706096 (E_RNA)
where:
Base-Base interactions energy: -243.659
where: short stacking energy: -98.338
Base-Backbone interact. energy: -0.148
local terms energy: -118.898485
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -28.107
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -30.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -323.403679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.403679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.403679 (E_RNA)
where:
Base-Base interactions energy: -203.657
where: short stacking energy: -105.903
Base-Backbone interact. energy: -0.111
local terms energy: -119.635352
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -28.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -284.533462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.533462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.533462 (E_RNA)
where:
Base-Base interactions energy: -169.776
where: short stacking energy: -80.276
Base-Backbone interact. energy: -0.026
local terms energy: -114.731200
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -18.312
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: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -262.788438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.788438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.788438 (E_RNA)
where:
Base-Base interactions energy: -169.661
where: short stacking energy: -71.481
Base-Backbone interact. energy: -0.255
local terms energy: -92.872583
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -15.647
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: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -266.079564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.079564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.079564 (E_RNA)
where:
Base-Base interactions energy: -159.778
where: short stacking energy: -73.201
Base-Backbone interact. energy: -0.507
local terms energy: -105.794487
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -287.089464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.089464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.089464 (E_RNA)
where:
Base-Base interactions energy: -173.728
where: short stacking energy: -88.822
Base-Backbone interact. energy: -0.123
local terms energy: -113.238596
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -29.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -219.964853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.964853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.964853 (E_RNA)
where:
Base-Base interactions energy: -136.625
where: short stacking energy: -66.361
Base-Backbone interact. energy: -0.780
local terms energy: -82.559908
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -13.473
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: 217
Temperature: 1.300000
Total energy: -211.669770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.669770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.669770 (E_RNA)
where:
Base-Base interactions energy: -126.022
where: short stacking energy: -54.156
Base-Backbone interact. energy: -0.610
local terms energy: -85.037220
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -107.789754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.789754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.789754 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.913
local terms energy: -73.747193
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -28.050
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -5.970
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: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -374.635706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.635706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.635706 (E_RNA)
where:
Base-Base interactions energy: -247.852
where: short stacking energy: -105.267
Base-Backbone interact. energy: -1.025
local terms energy: -125.759470
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -24.770
flat angles C4'-P-C4' energy: -26.320
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -30.407
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: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -358.020313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.020313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.020313 (E_RNA)
where:
Base-Base interactions energy: -234.173
where: short stacking energy: -112.061
Base-Backbone interact. energy: -0.357
local terms energy: -123.490173
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -26.659
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -31.822
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: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -311.103651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.103651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.103651 (E_RNA)
where:
Base-Base interactions energy: -190.391
where: short stacking energy: -98.546
Base-Backbone interact. energy: -0.132
local terms energy: -120.580140
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -30.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -309.898392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.898392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.898392 (E_RNA)
where:
Base-Base interactions energy: -197.081
where: short stacking energy: -92.229
Base-Backbone interact. energy: -0.123
local terms energy: -112.693488
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -24.685
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: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -256.677276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.677276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.677276 (E_RNA)
where:
Base-Base interactions energy: -169.972
where: short stacking energy: -72.975
Base-Backbone interact. energy: -0.429
local terms energy: -86.276365
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -250.681322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.681322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.681322 (E_RNA)
where:
Base-Base interactions energy: -144.452
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.171
local terms energy: -106.058447
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -16.046
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: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -267.459515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.459515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.459515 (E_RNA)
where:
Base-Base interactions energy: -170.489
where: short stacking energy: -75.496
Base-Backbone interact. energy: -0.590
local terms energy: -96.381252
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -191.209432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.209432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.209432 (E_RNA)
where:
Base-Base interactions energy: -103.949
where: short stacking energy: -53.968
Base-Backbone interact. energy: -0.115
local terms energy: -87.145753
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -109.522889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.522889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.522889 (E_RNA)
where:
Base-Base interactions energy: -29.802
where: short stacking energy: -28.363
Base-Backbone interact. energy: -0.453
local terms energy: -79.267865
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -171.618161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.618161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.618161 (E_RNA)
where:
Base-Base interactions energy: -108.384
where: short stacking energy: -62.821
Base-Backbone interact. energy: -0.002
local terms energy: -63.231485
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -379.551186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.551186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.551186 (E_RNA)
where:
Base-Base interactions energy: -251.080
where: short stacking energy: -110.268
Base-Backbone interact. energy: -1.406
local terms energy: -127.065317
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -32.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -345.911497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.911497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.911497 (E_RNA)
where:
Base-Base interactions energy: -225.940
where: short stacking energy: -99.275
Base-Backbone interact. energy: -0.411
local terms energy: -119.561315
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -27.773
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: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -359.369604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.369604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.369604 (E_RNA)
where:
Base-Base interactions energy: -234.773
where: short stacking energy: -110.258
Base-Backbone interact. energy: -0.166
local terms energy: -124.431166
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: -36.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -293.224236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.224236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.224236 (E_RNA)
where:
Base-Base interactions energy: -194.232
where: short stacking energy: -89.784
Base-Backbone interact. energy: -0.176
local terms energy: -98.816231
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -313.456996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.456996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.456996 (E_RNA)
where:
Base-Base interactions energy: -204.406
where: short stacking energy: -95.606
Base-Backbone interact. energy: -0.887
local terms energy: -108.164302
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -14.180
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: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -283.894943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.894943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.894943 (E_RNA)
where:
Base-Base interactions energy: -182.762
where: short stacking energy: -80.951
Base-Backbone interact. energy: -0.371
local terms energy: -100.761845
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -250.628164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.628164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.628164 (E_RNA)
where:
Base-Base interactions energy: -157.707
where: short stacking energy: -73.741
Base-Backbone interact. energy: -1.059
local terms energy: -91.862721
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -152.606352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.606352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.606352 (E_RNA)
where:
Base-Base interactions energy: -62.938
where: short stacking energy: -40.734
Base-Backbone interact. energy: -0.159
local terms energy: -89.509732
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -175.129699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.129699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.129699 (E_RNA)
where:
Base-Base interactions energy: -88.689
where: short stacking energy: -46.171
Base-Backbone interact. energy: 0.055
local terms energy: -86.495341
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -7.009
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: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -130.130384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.130384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.130384 (E_RNA)
where:
Base-Base interactions energy: -64.773
where: short stacking energy: -36.734
Base-Backbone interact. energy: 0.969
local terms energy: -66.326472
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -1.479
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: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -376.594327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.594327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.594327 (E_RNA)
where:
Base-Base interactions energy: -259.125
where: short stacking energy: -113.057
Base-Backbone interact. energy: -0.318
local terms energy: -117.151592
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -31.264
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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -328.459060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.459060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.459060 (E_RNA)
where:
Base-Base interactions energy: -210.636
where: short stacking energy: -101.780
Base-Backbone interact. energy: -0.175
local terms energy: -117.647548
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -360.581097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.581097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.581097 (E_RNA)
where:
Base-Base interactions energy: -230.842
where: short stacking energy: -112.114
Base-Backbone interact. energy: -0.695
local terms energy: -129.044308
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -34.959
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: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -300.673921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.673921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.673921 (E_RNA)
where:
Base-Base interactions energy: -187.721
where: short stacking energy: -101.590
Base-Backbone interact. energy: -0.008
local terms energy: -112.945463
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -29.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -287.973673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.973673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.973673 (E_RNA)
where:
Base-Base interactions energy: -179.228
where: short stacking energy: -82.153
Base-Backbone interact. energy: -0.136
local terms energy: -108.608851
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -25.758
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -268.959794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.959794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.959794 (E_RNA)
where:
Base-Base interactions energy: -163.237
where: short stacking energy: -84.915
Base-Backbone interact. energy: -0.088
local terms energy: -105.635148
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -22.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -248.912881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.912881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.912881 (E_RNA)
where:
Base-Base interactions energy: -134.929
where: short stacking energy: -57.384
Base-Backbone interact. energy: -0.495
local terms energy: -113.488957
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -19.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -122.190786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.190786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.190786 (E_RNA)
where:
Base-Base interactions energy: -56.142
where: short stacking energy: -48.943
Base-Backbone interact. energy: 1.015
local terms energy: -67.063488
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -123.882473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.882473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.882473 (E_RNA)
where:
Base-Base interactions energy: -39.872
where: short stacking energy: -38.556
Base-Backbone interact. energy: -0.399
local terms energy: -83.611536
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -17.605
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: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -165.932965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.932965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.932965 (E_RNA)
where:
Base-Base interactions energy: -93.535
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.630
local terms energy: -71.767616
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: 2.641
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: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -382.078063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.078063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.078063 (E_RNA)
where:
Base-Base interactions energy: -259.704
where: short stacking energy: -109.349
Base-Backbone interact. energy: -0.215
local terms energy: -122.159177
where:
bonds (distance) C4'-P energy: -26.618
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -20.477
tors. eta vs tors. theta energy: -33.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -369.202929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.202929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.202929 (E_RNA)
where:
Base-Base interactions energy: -235.374
where: short stacking energy: -115.860
Base-Backbone interact. energy: -0.027
local terms energy: -133.801918
where:
bonds (distance) C4'-P energy: -26.923
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -34.680
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: 221
Temperature: 1.000000
Total energy: -303.752782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.752782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.752782 (E_RNA)
where:
Base-Base interactions energy: -189.312
where: short stacking energy: -94.296
Base-Backbone interact. energy: -0.350
local terms energy: -114.091173
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -29.058
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: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -282.407989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.407989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.407989 (E_RNA)
where:
Base-Base interactions energy: -176.240
where: short stacking energy: -80.975
Base-Backbone interact. energy: -0.482
local terms energy: -105.686297
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -18.171
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: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -272.122015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.122015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.122015 (E_RNA)
where:
Base-Base interactions energy: -161.142
where: short stacking energy: -82.311
Base-Backbone interact. energy: -0.058
local terms energy: -110.922240
where:
bonds (distance) C4'-P energy: -27.336
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -28.851
flat angles P-C4'-P energy: -15.845
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: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -251.376539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.376539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.376539 (E_RNA)
where:
Base-Base interactions energy: -167.568
where: short stacking energy: -70.487
Base-Backbone interact. energy: -0.184
local terms energy: -83.624414
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -12.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -260.331976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.331976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.331976 (E_RNA)
where:
Base-Base interactions energy: -154.978
where: short stacking energy: -68.698
Base-Backbone interact. energy: -0.387
local terms energy: -104.966945
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -118.179895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.179895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.179895 (E_RNA)
where:
Base-Base interactions energy: -42.758
where: short stacking energy: -35.031
Base-Backbone interact. energy: -0.257
local terms energy: -75.165363
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -119.266796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.266796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.266796 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -29.967
Base-Backbone interact. energy: -1.246
local terms energy: -78.879286
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -111.233349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.233349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.233349 (E_RNA)
where:
Base-Base interactions energy: -45.390
where: short stacking energy: -45.340
Base-Backbone interact. energy: -0.255
local terms energy: -65.588428
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: 1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -367.270884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.270884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.270884 (E_RNA)
where:
Base-Base interactions energy: -238.989
where: short stacking energy: -108.112
Base-Backbone interact. energy: -0.033
local terms energy: -128.249101
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -27.706
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -31.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -374.061026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.061026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.061026 (E_RNA)
where:
Base-Base interactions energy: -257.469
where: short stacking energy: -111.925
Base-Backbone interact. energy: -1.772
local terms energy: -114.819908
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -32.142
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: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -296.784865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.784865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.784865 (E_RNA)
where:
Base-Base interactions energy: -182.819
where: short stacking energy: -94.651
Base-Backbone interact. energy: -0.052
local terms energy: -113.914484
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -15.881
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: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -296.446783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.446783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.446783 (E_RNA)
where:
Base-Base interactions energy: -195.671
where: short stacking energy: -93.614
Base-Backbone interact. energy: 0.850
local terms energy: -101.626355
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -26.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -265.001468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.001468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.001468 (E_RNA)
where:
Base-Base interactions energy: -167.862
where: short stacking energy: -74.394
Base-Backbone interact. energy: -0.388
local terms energy: -96.751107
where:
bonds (distance) C4'-P energy: -24.798
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -18.156
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: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -264.220443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.220443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.220443 (E_RNA)
where:
Base-Base interactions energy: -166.781
where: short stacking energy: -73.734
Base-Backbone interact. energy: -1.515
local terms energy: -95.925359
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -262.370672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.370672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.370672 (E_RNA)
where:
Base-Base interactions energy: -168.945
where: short stacking energy: -72.237
Base-Backbone interact. energy: -0.265
local terms energy: -93.160140
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -122.766393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.766393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.766393 (E_RNA)
where:
Base-Base interactions energy: -47.176
where: short stacking energy: -33.338
Base-Backbone interact. energy: -0.136
local terms energy: -75.454400
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -130.307801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.307801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.307801 (E_RNA)
where:
Base-Base interactions energy: -55.442
where: short stacking energy: -27.095
Base-Backbone interact. energy: -0.141
local terms energy: -74.725085
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -3.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -127.160396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.160396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.160396 (E_RNA)
where:
Base-Base interactions energy: -53.192
where: short stacking energy: -45.031
Base-Backbone interact. energy: -0.902
local terms energy: -73.066550
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -22.854
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -368.012775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.012775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.012775 (E_RNA)
where:
Base-Base interactions energy: -244.873
where: short stacking energy: -117.371
Base-Backbone interact. energy: 0.455
local terms energy: -123.594684
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -25.077
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -32.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -366.380267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.380267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.380267 (E_RNA)
where:
Base-Base interactions energy: -248.711
where: short stacking energy: -107.916
Base-Backbone interact. energy: -0.042
local terms energy: -117.626780
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -33.032
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: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -294.964339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.964339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.964339 (E_RNA)
where:
Base-Base interactions energy: -185.164
where: short stacking energy: -99.302
Base-Backbone interact. energy: -0.449
local terms energy: -109.351230
where:
bonds (distance) C4'-P energy: -28.694
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -32.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -299.593561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.593561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.593561 (E_RNA)
where:
Base-Base interactions energy: -187.431
where: short stacking energy: -80.575
Base-Backbone interact. energy: -1.191
local terms energy: -110.972334
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -266.617372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.617372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.617372 (E_RNA)
where:
Base-Base interactions energy: -162.578
where: short stacking energy: -80.705
Base-Backbone interact. energy: 2.032
local terms energy: -106.071690
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -14.561
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: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -282.568554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.568554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.568554 (E_RNA)
where:
Base-Base interactions energy: -192.698
where: short stacking energy: -86.096
Base-Backbone interact. energy: -0.638
local terms energy: -89.232291
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -246.382519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.382519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.382519 (E_RNA)
where:
Base-Base interactions energy: -157.531
where: short stacking energy: -74.779
Base-Backbone interact. energy: -0.418
local terms energy: -88.433721
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -133.133640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.133640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.133640 (E_RNA)
where:
Base-Base interactions energy: -52.697
where: short stacking energy: -42.509
Base-Backbone interact. energy: 0.973
local terms energy: -81.410269
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -26.132
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -119.001025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.001025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.001025 (E_RNA)
where:
Base-Base interactions energy: -35.605
where: short stacking energy: -30.764
Base-Backbone interact. energy: -2.388
local terms energy: -81.007952
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -117.916244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.916244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.916244 (E_RNA)
where:
Base-Base interactions energy: -39.554
where: short stacking energy: -39.554
Base-Backbone interact. energy: -0.502
local terms energy: -77.860497
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -378.624489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.624489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.624489 (E_RNA)
where:
Base-Base interactions energy: -247.462
where: short stacking energy: -113.212
Base-Backbone interact. energy: -1.033
local terms energy: -130.129687
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -37.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -363.782867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.782867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.782867 (E_RNA)
where:
Base-Base interactions energy: -238.392
where: short stacking energy: -102.285
Base-Backbone interact. energy: -0.130
local terms energy: -125.260250
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -23.193
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -33.014
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: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -304.730556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.730556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.730556 (E_RNA)
where:
Base-Base interactions energy: -199.179
where: short stacking energy: -85.484
Base-Backbone interact. energy: -0.408
local terms energy: -105.144324
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -278.112743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.112743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.112743 (E_RNA)
where:
Base-Base interactions energy: -183.055
where: short stacking energy: -85.540
Base-Backbone interact. energy: -0.369
local terms energy: -94.688533
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -18.631
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: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -267.067220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.067220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.067220 (E_RNA)
where:
Base-Base interactions energy: -170.855
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.380
local terms energy: -95.832551
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -247.897158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.897158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.897158 (E_RNA)
where:
Base-Base interactions energy: -158.175
where: short stacking energy: -78.256
Base-Backbone interact. energy: -0.747
local terms energy: -88.974544
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -270.139785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.139785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.139785 (E_RNA)
where:
Base-Base interactions energy: -166.525
where: short stacking energy: -77.856
Base-Backbone interact. energy: -0.960
local terms energy: -102.654963
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -209.519024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.519024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.519024 (E_RNA)
where:
Base-Base interactions energy: -119.329
where: short stacking energy: -51.366
Base-Backbone interact. energy: 0.201
local terms energy: -90.390134
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -119.330611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.330611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.330611 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.158
local terms energy: -86.923197
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -112.898848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.898848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.898848 (E_RNA)
where:
Base-Base interactions energy: -41.014
where: short stacking energy: -26.725
Base-Backbone interact. energy: -0.297
local terms energy: -71.587898
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: 0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -368.024034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.024034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.024034 (E_RNA)
where:
Base-Base interactions energy: -242.051
where: short stacking energy: -111.543
Base-Backbone interact. energy: 0.736
local terms energy: -126.708688
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -35.011
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: 225
Temperature: 0.950000
Total energy: -373.779964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.779964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.779964 (E_RNA)
where:
Base-Base interactions energy: -244.755
where: short stacking energy: -108.440
Base-Backbone interact. energy: -1.082
local terms energy: -127.942674
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -20.159
tors. eta vs tors. theta energy: -31.700
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: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -316.367520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.367520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.367520 (E_RNA)
where:
Base-Base interactions energy: -209.961
where: short stacking energy: -89.534
Base-Backbone interact. energy: -0.140
local terms energy: -106.266723
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -23.991
flat angles P-C4'-P energy: -16.565
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: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -298.251088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.251088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.251088 (E_RNA)
where:
Base-Base interactions energy: -203.010
where: short stacking energy: -83.375
Base-Backbone interact. energy: -0.301
local terms energy: -94.940443
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -19.548
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -263.894744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.894744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.894744 (E_RNA)
where:
Base-Base interactions energy: -162.642
where: short stacking energy: -86.936
Base-Backbone interact. energy: 0.723
local terms energy: -101.975775
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -19.471
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: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -275.609609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.609609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.609609 (E_RNA)
where:
Base-Base interactions energy: -169.479
where: short stacking energy: -81.572
Base-Backbone interact. energy: -0.152
local terms energy: -105.978909
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -17.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -245.054867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.054867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.054867 (E_RNA)
where:
Base-Base interactions energy: -148.796
where: short stacking energy: -73.220
Base-Backbone interact. energy: -0.166
local terms energy: -96.092447
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -27.020
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -222.703816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.703816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.703816 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -79.864
Base-Backbone interact. energy: -0.403
local terms energy: -79.874968
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -25.087
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -137.038841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.038841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.038841 (E_RNA)
where:
Base-Base interactions energy: -45.323
where: short stacking energy: -45.215
Base-Backbone interact. energy: -0.366
local terms energy: -91.349681
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -8.095
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: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -118.038726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.038726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.038726 (E_RNA)
where:
Base-Base interactions energy: -39.485
where: short stacking energy: -31.810
Base-Backbone interact. energy: 0.671
local terms energy: -79.224707
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -380.605888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.605888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.605888 (E_RNA)
where:
Base-Base interactions energy: -258.244
where: short stacking energy: -111.479
Base-Backbone interact. energy: -0.568
local terms energy: -121.793797
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -27.819
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -29.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -363.648011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.648011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.648011 (E_RNA)
where:
Base-Base interactions energy: -236.272
where: short stacking energy: -119.180
Base-Backbone interact. energy: -0.176
local terms energy: -127.200278
where:
bonds (distance) C4'-P energy: -26.069
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -25.771
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -37.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -306.717751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.717751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.717751 (E_RNA)
where:
Base-Base interactions energy: -203.023
where: short stacking energy: -87.912
Base-Backbone interact. energy: -0.426
local terms energy: -103.268281
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -27.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -310.629580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.629580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.629580 (E_RNA)
where:
Base-Base interactions energy: -204.191
where: short stacking energy: -74.334
Base-Backbone interact. energy: -0.300
local terms energy: -106.138444
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -289.077405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.077405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.077405 (E_RNA)
where:
Base-Base interactions energy: -182.708
where: short stacking energy: -79.906
Base-Backbone interact. energy: -0.797
local terms energy: -105.572937
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -18.539
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: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -275.849752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.849752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.849752 (E_RNA)
where:
Base-Base interactions energy: -175.612
where: short stacking energy: -82.908
Base-Backbone interact. energy: -0.735
local terms energy: -99.502682
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -257.893687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.893687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.893687 (E_RNA)
where:
Base-Base interactions energy: -161.386
where: short stacking energy: -66.593
Base-Backbone interact. energy: -1.116
local terms energy: -95.391815
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -13.631
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: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -250.111885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.111885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.111885 (E_RNA)
where:
Base-Base interactions energy: -164.099
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.499
local terms energy: -85.513750
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -121.794305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.794305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.794305 (E_RNA)
where:
Base-Base interactions energy: -53.982
where: short stacking energy: -35.989
Base-Backbone interact. energy: -1.200
local terms energy: -66.611614
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -124.153821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.153821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.153821 (E_RNA)
where:
Base-Base interactions energy: -47.236
where: short stacking energy: -46.754
Base-Backbone interact. energy: -0.156
local terms energy: -76.762027
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -377.171438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.171438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.171438 (E_RNA)
where:
Base-Base interactions energy: -246.095
where: short stacking energy: -103.640
Base-Backbone interact. energy: -0.650
local terms energy: -130.425770
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -34.554
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: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -362.153726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.153726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.153726 (E_RNA)
where:
Base-Base interactions energy: -229.218
where: short stacking energy: -98.665
Base-Backbone interact. energy: -1.208
local terms energy: -131.727569
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -36.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -306.664044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.664044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.664044 (E_RNA)
where:
Base-Base interactions energy: -193.589
where: short stacking energy: -100.206
Base-Backbone interact. energy: -0.500
local terms energy: -112.574539
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -30.448
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: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -294.845268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.845268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.845268 (E_RNA)
where:
Base-Base interactions energy: -182.967
where: short stacking energy: -79.537
Base-Backbone interact. energy: 0.292
local terms energy: -112.169785
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -26.737
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -28.645
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: 8
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -279.424437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.424437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.424437 (E_RNA)
where:
Base-Base interactions energy: -178.112
where: short stacking energy: -84.259
Base-Backbone interact. energy: -0.624
local terms energy: -100.689255
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -19.320
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: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -267.955980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.955980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.955980 (E_RNA)
where:
Base-Base interactions energy: -174.709
where: short stacking energy: -78.894
Base-Backbone interact. energy: -0.194
local terms energy: -93.053850
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -23.470
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -257.331655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.331655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.331655 (E_RNA)
where:
Base-Base interactions energy: -163.629
where: short stacking energy: -78.792
Base-Backbone interact. energy: 0.307
local terms energy: -94.009157
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -234.777287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.777287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.777287 (E_RNA)
where:
Base-Base interactions energy: -139.762
where: short stacking energy: -67.663
Base-Backbone interact. energy: 3.162
local terms energy: -98.177157
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -129.409004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.409004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.409004 (E_RNA)
where:
Base-Base interactions energy: -53.581
where: short stacking energy: -43.235
Base-Backbone interact. energy: -0.532
local terms energy: -75.296043
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: 1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -111.540582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.540582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.540582 (E_RNA)
where:
Base-Base interactions energy: -33.518
where: short stacking energy: -23.896
Base-Backbone interact. energy: -0.337
local terms energy: -77.685946
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: 4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -383.590398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.590398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.590398 (E_RNA)
where:
Base-Base interactions energy: -257.899
where: short stacking energy: -110.758
Base-Backbone interact. energy: -0.384
local terms energy: -125.307268
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -31.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -362.979232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.979232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.979232 (E_RNA)
where:
Base-Base interactions energy: -240.783
where: short stacking energy: -114.359
Base-Backbone interact. energy: -0.034
local terms energy: -122.161846
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -35.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -330.334702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.334702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.334702 (E_RNA)
where:
Base-Base interactions energy: -214.291
where: short stacking energy: -98.456
Base-Backbone interact. energy: -1.520
local terms energy: -114.523854
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -26.943
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -25.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -309.416137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.416137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.416137 (E_RNA)
where:
Base-Base interactions energy: -199.401
where: short stacking energy: -104.502
Base-Backbone interact. energy: -0.018
local terms energy: -109.997397
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -28.810
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: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -289.415964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.415964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.415964 (E_RNA)
where:
Base-Base interactions energy: -181.957
where: short stacking energy: -86.157
Base-Backbone interact. energy: -0.347
local terms energy: -107.111895
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -15.714
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: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -263.781450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.781450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.781450 (E_RNA)
where:
Base-Base interactions energy: -163.925
where: short stacking energy: -73.092
Base-Backbone interact. energy: -0.164
local terms energy: -99.692437
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -259.259328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.259328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.259328 (E_RNA)
where:
Base-Base interactions energy: -159.091
where: short stacking energy: -77.279
Base-Backbone interact. energy: -0.083
local terms energy: -100.085027
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -14.118
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: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -248.419084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.419084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.419084 (E_RNA)
where:
Base-Base interactions energy: -145.563
where: short stacking energy: -68.293
Base-Backbone interact. energy: -0.660
local terms energy: -102.195493
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -22.971
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -22.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -121.595788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.595788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.595788 (E_RNA)
where:
Base-Base interactions energy: -54.600
where: short stacking energy: -40.018
Base-Backbone interact. energy: -0.709
local terms energy: -66.286242
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -123.199678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.199678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.199678 (E_RNA)
where:
Base-Base interactions energy: -51.354
where: short stacking energy: -36.100
Base-Backbone interact. energy: -1.154
local terms energy: -70.691882
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -23.360
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: 4.988
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: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -376.561914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.561914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.561914 (E_RNA)
where:
Base-Base interactions energy: -254.233
where: short stacking energy: -106.751
Base-Backbone interact. energy: -1.663
local terms energy: -120.665398
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -30.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -361.831738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.831738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.831738 (E_RNA)
where:
Base-Base interactions energy: -231.113
where: short stacking energy: -109.434
Base-Backbone interact. energy: -0.657
local terms energy: -130.061853
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -36.370
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: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -317.619601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.619601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.619601 (E_RNA)
where:
Base-Base interactions energy: -198.700
where: short stacking energy: -99.348
Base-Backbone interact. energy: -0.634
local terms energy: -118.285546
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -25.987
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: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -304.224293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.224293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.224293 (E_RNA)
where:
Base-Base interactions energy: -194.859
where: short stacking energy: -80.638
Base-Backbone interact. energy: -0.138
local terms energy: -109.227815
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -25.490
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -296.080784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.080784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.080784 (E_RNA)
where:
Base-Base interactions energy: -182.078
where: short stacking energy: -81.336
Base-Backbone interact. energy: -0.223
local terms energy: -113.779231
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -23.264
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: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -257.840439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.840439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.840439 (E_RNA)
where:
Base-Base interactions energy: -159.199
where: short stacking energy: -72.189
Base-Backbone interact. energy: -0.245
local terms energy: -98.397069
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -9.515
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: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -249.226570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.226570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.226570 (E_RNA)
where:
Base-Base interactions energy: -163.454
where: short stacking energy: -69.688
Base-Backbone interact. energy: 0.739
local terms energy: -86.511550
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -13.946
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: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -251.285753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.285753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.285753 (E_RNA)
where:
Base-Base interactions energy: -152.096
where: short stacking energy: -73.763
Base-Backbone interact. energy: -0.087
local terms energy: -99.102966
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -20.379
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -130.611948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.611948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.611948 (E_RNA)
where:
Base-Base interactions energy: -48.000
where: short stacking energy: -31.374
Base-Backbone interact. energy: -1.087
local terms energy: -81.524568
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -121.446937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.446937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.446937 (E_RNA)
where:
Base-Base interactions energy: -59.306
where: short stacking energy: -48.119
Base-Backbone interact. energy: 3.575
local terms energy: -65.715378
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: 0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -378.535234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.535234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.535234 (E_RNA)
where:
Base-Base interactions energy: -250.710
where: short stacking energy: -108.196
Base-Backbone interact. energy: -2.811
local terms energy: -125.014326
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -31.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -370.396922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.396922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.396922 (E_RNA)
where:
Base-Base interactions energy: -239.977
where: short stacking energy: -115.892
Base-Backbone interact. energy: -0.326
local terms energy: -130.093873
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -20.875
tors. eta vs tors. theta energy: -34.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -320.673368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.673368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.673368 (E_RNA)
where:
Base-Base interactions energy: -198.550
where: short stacking energy: -94.707
Base-Backbone interact. energy: -0.148
local terms energy: -121.975340
where:
bonds (distance) C4'-P energy: -25.622
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -29.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -294.504871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.504871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.504871 (E_RNA)
where:
Base-Base interactions energy: -187.564
where: short stacking energy: -103.455
Base-Backbone interact. energy: 1.267
local terms energy: -108.207446
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -32.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -294.501970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.501970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.501970 (E_RNA)
where:
Base-Base interactions energy: -187.514
where: short stacking energy: -87.317
Base-Backbone interact. energy: -0.260
local terms energy: -106.728160
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -25.616
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -25.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -297.151993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.151993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.151993 (E_RNA)
where:
Base-Base interactions energy: -196.037
where: short stacking energy: -82.705
Base-Backbone interact. energy: 1.618
local terms energy: -102.732005
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -263.429646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.429646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.429646 (E_RNA)
where:
Base-Base interactions energy: -158.202
where: short stacking energy: -75.656
Base-Backbone interact. energy: -1.015
local terms energy: -104.212264
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -233.742071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.742071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.742071 (E_RNA)
where:
Base-Base interactions energy: -136.825
where: short stacking energy: -63.381
Base-Backbone interact. energy: -0.533
local terms energy: -96.384166
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -129.291005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.291005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.291005 (E_RNA)
where:
Base-Base interactions energy: -52.734
where: short stacking energy: -42.489
Base-Backbone interact. energy: -0.134
local terms energy: -76.423359
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -112.858324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.858324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.858324 (E_RNA)
where:
Base-Base interactions energy: -42.028
where: short stacking energy: -42.028
Base-Backbone interact. energy: -0.197
local terms energy: -70.633196
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -379.122271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.122271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.122271 (E_RNA)
where:
Base-Base interactions energy: -255.913
where: short stacking energy: -114.483
Base-Backbone interact. energy: -0.280
local terms energy: -122.929048
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -32.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -364.453403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.453403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.453403 (E_RNA)
where:
Base-Base interactions energy: -245.934
where: short stacking energy: -111.324
Base-Backbone interact. energy: -0.616
local terms energy: -117.903604
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -27.060
flat angles C4'-P-C4' energy: -27.577
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -28.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -301.515110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.515110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.515110 (E_RNA)
where:
Base-Base interactions energy: -192.197
where: short stacking energy: -82.134
Base-Backbone interact. energy: -0.538
local terms energy: -108.779742
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -282.628839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.628839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.628839 (E_RNA)
where:
Base-Base interactions energy: -180.534
where: short stacking energy: -79.714
Base-Backbone interact. energy: -0.041
local terms energy: -102.053688
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -27.070
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -274.015373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.015373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.015373 (E_RNA)
where:
Base-Base interactions energy: -174.013
where: short stacking energy: -87.794
Base-Backbone interact. energy: -0.100
local terms energy: -99.902623
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -27.346
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: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -280.025673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.025673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.025673 (E_RNA)
where:
Base-Base interactions energy: -169.677
where: short stacking energy: -71.036
Base-Backbone interact. energy: -0.496
local terms energy: -109.852123
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -269.388423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.388423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.388423 (E_RNA)
where:
Base-Base interactions energy: -173.193
where: short stacking energy: -86.109
Base-Backbone interact. energy: -0.223
local terms energy: -95.973075
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -251.447628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.447628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.447628 (E_RNA)
where:
Base-Base interactions energy: -145.488
where: short stacking energy: -75.797
Base-Backbone interact. energy: -0.068
local terms energy: -105.891981
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -20.924
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: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -119.924301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.924301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.924301 (E_RNA)
where:
Base-Base interactions energy: -43.413
where: short stacking energy: -36.050
Base-Backbone interact. energy: -0.492
local terms energy: -76.019471
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -115.091826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.091826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.091826 (E_RNA)
where:
Base-Base interactions energy: -37.914
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.980
local terms energy: -76.197725
where:
bonds (distance) C4'-P energy: -22.915
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -4.149
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: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -380.567556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.567556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.567556 (E_RNA)
where:
Base-Base interactions energy: -251.552
where: short stacking energy: -118.255
Base-Backbone interact. energy: -0.405
local terms energy: -128.610278
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -26.359
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -36.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -364.889330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.889330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.889330 (E_RNA)
where:
Base-Base interactions energy: -246.414
where: short stacking energy: -110.852
Base-Backbone interact. energy: -0.313
local terms energy: -118.161770
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -27.211
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -30.559
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: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -310.514466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.514466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.514466 (E_RNA)
where:
Base-Base interactions energy: -195.883
where: short stacking energy: -101.658
Base-Backbone interact. energy: -0.223
local terms energy: -114.408204
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -21.986
tors. eta vs tors. theta energy: -21.785
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: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -312.438016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.438016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.438016 (E_RNA)
where:
Base-Base interactions energy: -202.170
where: short stacking energy: -87.837
Base-Backbone interact. energy: -0.228
local terms energy: -110.039982
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -274.295375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.295375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.295375 (E_RNA)
where:
Base-Base interactions energy: -166.013
where: short stacking energy: -76.869
Base-Backbone interact. energy: -1.001
local terms energy: -107.281667
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -26.437
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -279.899304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.899304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.899304 (E_RNA)
where:
Base-Base interactions energy: -172.221
where: short stacking energy: -84.511
Base-Backbone interact. energy: -0.058
local terms energy: -107.619663
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -17.276
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: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -258.187700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.187700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.187700 (E_RNA)
where:
Base-Base interactions energy: -162.751
where: short stacking energy: -77.414
Base-Backbone interact. energy: -1.053
local terms energy: -94.383271
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -26.667
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -14.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -241.928149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.928149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.928149 (E_RNA)
where:
Base-Base interactions energy: -141.350
where: short stacking energy: -65.092
Base-Backbone interact. energy: -0.219
local terms energy: -100.358576
where:
bonds (distance) C4'-P energy: -27.343
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -123.302771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.302771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.302771 (E_RNA)
where:
Base-Base interactions energy: -45.849
where: short stacking energy: -43.439
Base-Backbone interact. energy: -0.163
local terms energy: -77.290665
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -10.858
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: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -114.972405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.972405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.972405 (E_RNA)
where:
Base-Base interactions energy: -42.883
where: short stacking energy: -26.327
Base-Backbone interact. energy: -0.736
local terms energy: -71.353595
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -370.462992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.462992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.462992 (E_RNA)
where:
Base-Base interactions energy: -232.750
where: short stacking energy: -105.317
Base-Backbone interact. energy: -0.513
local terms energy: -137.199629
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: -38.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -356.187432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.187432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.187432 (E_RNA)
where:
Base-Base interactions energy: -230.933
where: short stacking energy: -101.808
Base-Backbone interact. energy: -0.711
local terms energy: -124.543284
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -26.646
flat angles C4'-P-C4' energy: -27.029
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -33.423
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: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -304.374617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.374617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.374617 (E_RNA)
where:
Base-Base interactions energy: -188.608
where: short stacking energy: -85.212
Base-Backbone interact. energy: -0.985
local terms energy: -114.781148
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -25.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -304.319915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.319915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.319915 (E_RNA)
where:
Base-Base interactions energy: -198.935
where: short stacking energy: -95.846
Base-Backbone interact. energy: -0.086
local terms energy: -105.299056
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -14.492
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: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -282.781716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.781716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.781716 (E_RNA)
where:
Base-Base interactions energy: -180.251
where: short stacking energy: -84.142
Base-Backbone interact. energy: -0.517
local terms energy: -102.013078
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -24.856
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -278.797020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.797020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.797020 (E_RNA)
where:
Base-Base interactions energy: -175.255
where: short stacking energy: -82.144
Base-Backbone interact. energy: -0.347
local terms energy: -103.194737
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -27.319
flat angles P-C4'-P energy: -10.202
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: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -275.843099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.843099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.843099 (E_RNA)
where:
Base-Base interactions energy: -175.129
where: short stacking energy: -85.365
Base-Backbone interact. energy: 1.965
local terms energy: -102.678504
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -23.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -249.902640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.902640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.902640 (E_RNA)
where:
Base-Base interactions energy: -155.629
where: short stacking energy: -54.243
Base-Backbone interact. energy: -0.190
local terms energy: -94.083573
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -25.903
flat angles C4'-P-C4' energy: -27.620
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -11.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -113.300718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.300718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.300718 (E_RNA)
where:
Base-Base interactions energy: -50.100
where: short stacking energy: -34.523
Base-Backbone interact. energy: 0.383
local terms energy: -63.583002
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: 2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -109.048440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.048440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.048440 (E_RNA)
where:
Base-Base interactions energy: -37.392
where: short stacking energy: -35.548
Base-Backbone interact. energy: -0.362
local terms energy: -71.294729
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -26.657
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: 6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -366.654079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.654079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.654079 (E_RNA)
where:
Base-Base interactions energy: -238.195
where: short stacking energy: -122.128
Base-Backbone interact. energy: -1.117
local terms energy: -127.342391
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -26.952
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -35.964
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: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -358.441755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.441755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.441755 (E_RNA)
where:
Base-Base interactions energy: -233.275
where: short stacking energy: -102.809
Base-Backbone interact. energy: -0.105
local terms energy: -125.061677
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -22.769
tors. eta vs tors. theta energy: -28.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -307.150157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.150157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.150157 (E_RNA)
where:
Base-Base interactions energy: -193.415
where: short stacking energy: -89.127
Base-Backbone interact. energy: -0.096
local terms energy: -113.638997
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -27.531
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: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -297.883493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.883493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.883493 (E_RNA)
where:
Base-Base interactions energy: -187.978
where: short stacking energy: -90.008
Base-Backbone interact. energy: -0.382
local terms energy: -109.523534
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -26.229
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -24.817
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: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -302.128553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.128553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.128553 (E_RNA)
where:
Base-Base interactions energy: -198.569
where: short stacking energy: -93.009
Base-Backbone interact. energy: -0.084
local terms energy: -103.474764
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -27.181
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: 234
Temperature: 1.150000
Total energy: -270.345262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.345262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.345262 (E_RNA)
where:
Base-Base interactions energy: -179.388
where: short stacking energy: -86.646
Base-Backbone interact. energy: -0.019
local terms energy: -90.937851
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -22.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -276.469998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.469998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.469998 (E_RNA)
where:
Base-Base interactions energy: -166.195
where: short stacking energy: -75.246
Base-Backbone interact. energy: -0.004
local terms energy: -110.270223
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -24.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -278.360249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.360249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.360249 (E_RNA)
where:
Base-Base interactions energy: -180.770
where: short stacking energy: -83.386
Base-Backbone interact. energy: 1.106
local terms energy: -98.696850
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -147.200776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.200776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.200776 (E_RNA)
where:
Base-Base interactions energy: -69.773
where: short stacking energy: -31.584
Base-Backbone interact. energy: 0.239
local terms energy: -77.666860
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -120.270492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.270492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.270492 (E_RNA)
where:
Base-Base interactions energy: -51.618
where: short stacking energy: -32.804
Base-Backbone interact. energy: 3.125
local terms energy: -71.777409
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: 0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -364.815091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.815091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.815091 (E_RNA)
where:
Base-Base interactions energy: -230.740
where: short stacking energy: -116.755
Base-Backbone interact. energy: -0.359
local terms energy: -133.715809
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -28.200
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -36.466
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: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -369.426640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.426640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.426640 (E_RNA)
where:
Base-Base interactions energy: -251.897
where: short stacking energy: -113.068
Base-Backbone interact. energy: -0.470
local terms energy: -117.060268
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -26.434
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -32.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -306.997929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.997929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.997929 (E_RNA)
where:
Base-Base interactions energy: -193.375
where: short stacking energy: -96.770
Base-Backbone interact. energy: 0.365
local terms energy: -113.987261
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -25.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -299.809431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.809431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.809431 (E_RNA)
where:
Base-Base interactions energy: -192.953
where: short stacking energy: -97.827
Base-Backbone interact. energy: -0.016
local terms energy: -106.840515
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -27.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -300.947881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.947881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.947881 (E_RNA)
where:
Base-Base interactions energy: -203.635
where: short stacking energy: -91.110
Base-Backbone interact. energy: 2.713
local terms energy: -100.025997
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -25.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -260.624016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.624016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.624016 (E_RNA)
where:
Base-Base interactions energy: -171.116
where: short stacking energy: -80.630
Base-Backbone interact. energy: -0.210
local terms energy: -89.298446
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -258.258168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.258168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.258168 (E_RNA)
where:
Base-Base interactions energy: -170.151
where: short stacking energy: -73.484
Base-Backbone interact. energy: -0.966
local terms energy: -87.140960
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -9.785
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: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -229.277689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.277689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.277689 (E_RNA)
where:
Base-Base interactions energy: -148.327
where: short stacking energy: -68.878
Base-Backbone interact. energy: 0.617
local terms energy: -81.567241
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -124.198648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.198648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.198648 (E_RNA)
where:
Base-Base interactions energy: -54.902
where: short stacking energy: -35.822
Base-Backbone interact. energy: -0.943
local terms energy: -68.353948
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -116.734543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.734543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.734543 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -31.755
Base-Backbone interact. energy: -0.823
local terms energy: -82.442968
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -22.079
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -378.822979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.822979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.822979 (E_RNA)
where:
Base-Base interactions energy: -251.938
where: short stacking energy: -107.211
Base-Backbone interact. energy: -0.283
local terms energy: -126.601901
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -28.037
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -14.269
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: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -361.682015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.682015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.682015 (E_RNA)
where:
Base-Base interactions energy: -237.701
where: short stacking energy: -116.591
Base-Backbone interact. energy: -0.981
local terms energy: -122.999675
where:
bonds (distance) C4'-P energy: -25.543
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -36.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -335.873504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.873504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.873504 (E_RNA)
where:
Base-Base interactions energy: -222.660
where: short stacking energy: -104.415
Base-Backbone interact. energy: -0.055
local terms energy: -113.158597
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -25.306
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -27.986
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: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -301.438489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.438489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.438489 (E_RNA)
where:
Base-Base interactions energy: -188.901
where: short stacking energy: -83.757
Base-Backbone interact. energy: -0.901
local terms energy: -111.636685
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -26.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -301.792682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.792682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.792682 (E_RNA)
where:
Base-Base interactions energy: -191.693
where: short stacking energy: -82.386
Base-Backbone interact. energy: -0.037
local terms energy: -110.062121
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -25.567
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: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -280.030107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.030107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.030107 (E_RNA)
where:
Base-Base interactions energy: -186.822
where: short stacking energy: -75.567
Base-Backbone interact. energy: 3.403
local terms energy: -96.610668
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -19.261
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: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -241.443208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.443208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.443208 (E_RNA)
where:
Base-Base interactions energy: -149.083
where: short stacking energy: -74.664
Base-Backbone interact. energy: -1.659
local terms energy: -90.700681
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -23.136
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -259.271798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.271798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.271798 (E_RNA)
where:
Base-Base interactions energy: -162.927
where: short stacking energy: -74.988
Base-Backbone interact. energy: -0.897
local terms energy: -95.448659
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -116.625314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.625314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.625314 (E_RNA)
where:
Base-Base interactions energy: -41.028
where: short stacking energy: -29.794
Base-Backbone interact. energy: -0.524
local terms energy: -75.072859
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -25.681
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: 2.746
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: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -109.870983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.870983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.870983 (E_RNA)
where:
Base-Base interactions energy: -36.268
where: short stacking energy: -36.268
Base-Backbone interact. energy: -0.360
local terms energy: -73.243318
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -386.690323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.690323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.690323 (E_RNA)
where:
Base-Base interactions energy: -263.841
where: short stacking energy: -115.851
Base-Backbone interact. energy: -0.312
local terms energy: -122.537086
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -17.855
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: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -357.865720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.865720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.865720 (E_RNA)
where:
Base-Base interactions energy: -235.789
where: short stacking energy: -116.075
Base-Backbone interact. energy: -0.457
local terms energy: -121.620466
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -37.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -315.325630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.325630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.325630 (E_RNA)
where:
Base-Base interactions energy: -198.277
where: short stacking energy: -97.612
Base-Backbone interact. energy: -0.486
local terms energy: -116.562383
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -24.752
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: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -306.792161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.792161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.792161 (E_RNA)
where:
Base-Base interactions energy: -197.828
where: short stacking energy: -94.831
Base-Backbone interact. energy: -1.107
local terms energy: -107.857078
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -30.170
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: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -296.438963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.438963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.438963 (E_RNA)
where:
Base-Base interactions energy: -184.729
where: short stacking energy: -92.464
Base-Backbone interact. energy: -0.314
local terms energy: -111.395556
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -11.686
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: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -287.888538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.888538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.888538 (E_RNA)
where:
Base-Base interactions energy: -180.578
where: short stacking energy: -87.364
Base-Backbone interact. energy: -0.088
local terms energy: -107.222739
where:
bonds (distance) C4'-P energy: -25.714
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -23.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -250.181929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.181929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.181929 (E_RNA)
where:
Base-Base interactions energy: -149.054
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.372
local terms energy: -100.756181
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -248.449768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.449768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.449768 (E_RNA)
where:
Base-Base interactions energy: -152.182
where: short stacking energy: -71.293
Base-Backbone interact. energy: -0.166
local terms energy: -96.101592
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -13.114
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: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -119.316994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.316994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.316994 (E_RNA)
where:
Base-Base interactions energy: -46.789
where: short stacking energy: -43.634
Base-Backbone interact. energy: 1.141
local terms energy: -73.669223
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -124.522936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.522936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.522936 (E_RNA)
where:
Base-Base interactions energy: -38.032
where: short stacking energy: -38.032
Base-Backbone interact. energy: -0.946
local terms energy: -85.544763
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -5.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -385.737671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.737671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.737671 (E_RNA)
where:
Base-Base interactions energy: -255.932
where: short stacking energy: -107.651
Base-Backbone interact. energy: -0.644
local terms energy: -129.161296
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -33.753
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: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -356.148200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.148200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.148200 (E_RNA)
where:
Base-Base interactions energy: -234.452
where: short stacking energy: -109.787
Base-Backbone interact. energy: -0.381
local terms energy: -121.314764
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -34.679
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: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -321.508983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.508983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.508983 (E_RNA)
where:
Base-Base interactions energy: -199.911
where: short stacking energy: -103.185
Base-Backbone interact. energy: 0.254
local terms energy: -121.852443
where:
bonds (distance) C4'-P energy: -27.693
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -33.595
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: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -309.580087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.580087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.580087 (E_RNA)
where:
Base-Base interactions energy: -199.954
where: short stacking energy: -86.981
Base-Backbone interact. energy: 1.586
local terms energy: -111.211740
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -22.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -284.618410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.618410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.618410 (E_RNA)
where:
Base-Base interactions energy: -176.629
where: short stacking energy: -81.656
Base-Backbone interact. energy: -0.049
local terms energy: -107.940348
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -22.103
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: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -278.768942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.768942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.768942 (E_RNA)
where:
Base-Base interactions energy: -173.589
where: short stacking energy: -78.092
Base-Backbone interact. energy: -0.184
local terms energy: -104.996595
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -273.315492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.315492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.315492 (E_RNA)
where:
Base-Base interactions energy: -193.643
where: short stacking energy: -85.296
Base-Backbone interact. energy: -0.689
local terms energy: -78.983083
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -6.275
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: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -245.568030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.568030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.568030 (E_RNA)
where:
Base-Base interactions energy: -167.260
where: short stacking energy: -72.839
Base-Backbone interact. energy: -0.527
local terms energy: -77.780960
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -11.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -114.021838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.021838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.021838 (E_RNA)
where:
Base-Base interactions energy: -37.130
where: short stacking energy: -25.199
Base-Backbone interact. energy: -0.431
local terms energy: -76.460716
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: 2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -115.515861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.515861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.515861 (E_RNA)
where:
Base-Base interactions energy: -33.939
where: short stacking energy: -35.239
Base-Backbone interact. energy: -0.280
local terms energy: -81.296519
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -371.195396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.195396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.195396 (E_RNA)
where:
Base-Base interactions energy: -250.228
where: short stacking energy: -107.141
Base-Backbone interact. energy: 0.643
local terms energy: -121.610148
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -18.996
tors. eta vs tors. theta energy: -33.849
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: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -359.838982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.838982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.838982 (E_RNA)
where:
Base-Base interactions energy: -236.554
where: short stacking energy: -121.255
Base-Backbone interact. energy: -0.106
local terms energy: -123.179160
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -25.020
flat angles C4'-P-C4' energy: -27.236
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -37.224
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: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -309.586428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.586428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.586428 (E_RNA)
where:
Base-Base interactions energy: -191.458
where: short stacking energy: -92.265
Base-Backbone interact. energy: -0.623
local terms energy: -117.505259
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -29.179
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -322.875722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.875722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.875722 (E_RNA)
where:
Base-Base interactions energy: -206.849
where: short stacking energy: -100.391
Base-Backbone interact. energy: -0.119
local terms energy: -115.908357
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -28.410
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: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -281.149886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.149886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.149886 (E_RNA)
where:
Base-Base interactions energy: -162.685
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.242
local terms energy: -118.223582
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -27.580
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -20.392
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: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -279.398982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.398982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.398982 (E_RNA)
where:
Base-Base interactions energy: -179.813
where: short stacking energy: -79.363
Base-Backbone interact. energy: -0.899
local terms energy: -98.686368
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -266.001142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.001142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.001142 (E_RNA)
where:
Base-Base interactions energy: -160.346
where: short stacking energy: -79.294
Base-Backbone interact. energy: -0.165
local terms energy: -105.490414
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -23.826
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -18.462
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: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -269.695357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.695357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.695357 (E_RNA)
where:
Base-Base interactions energy: -165.210
where: short stacking energy: -75.044
Base-Backbone interact. energy: -0.341
local terms energy: -104.144161
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -25.820
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -118.196286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.196286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.196286 (E_RNA)
where:
Base-Base interactions energy: -43.978
where: short stacking energy: -28.814
Base-Backbone interact. energy: -1.049
local terms energy: -73.168844
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -116.012225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.012225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.012225 (E_RNA)
where:
Base-Base interactions energy: -41.010
where: short stacking energy: -39.838
Base-Backbone interact. energy: 1.837
local terms energy: -76.838554
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -363.490091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.490091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.490091 (E_RNA)
where:
Base-Base interactions energy: -235.939
where: short stacking energy: -109.173
Base-Backbone interact. energy: -0.008
local terms energy: -127.542716
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -16.734
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: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -379.423703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.423703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.423703 (E_RNA)
where:
Base-Base interactions energy: -250.485
where: short stacking energy: -102.925
Base-Backbone interact. energy: -1.605
local terms energy: -127.333924
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -26.071
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -32.822
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: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -311.467030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.467030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.467030 (E_RNA)
where:
Base-Base interactions energy: -202.220
where: short stacking energy: -99.255
Base-Backbone interact. energy: -0.710
local terms energy: -108.536578
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -28.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -309.478579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.478579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.478579 (E_RNA)
where:
Base-Base interactions energy: -199.811
where: short stacking energy: -99.125
Base-Backbone interact. energy: 0.664
local terms energy: -110.331933
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -26.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -311.039512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.039512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.039512 (E_RNA)
where:
Base-Base interactions energy: -195.431
where: short stacking energy: -97.259
Base-Backbone interact. energy: -0.230
local terms energy: -115.378779
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -30.187
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -261.890572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.890572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.890572 (E_RNA)
where:
Base-Base interactions energy: -165.668
where: short stacking energy: -78.042
Base-Backbone interact. energy: -0.420
local terms energy: -95.802867
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -273.519436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.519436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.519436 (E_RNA)
where:
Base-Base interactions energy: -165.687
where: short stacking energy: -80.960
Base-Backbone interact. energy: -0.377
local terms energy: -107.455368
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -23.939
flat angles C4'-P-C4' energy: -24.073
flat angles P-C4'-P energy: -8.796
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: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -271.069488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.069488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.069488 (E_RNA)
where:
Base-Base interactions energy: -170.220
where: short stacking energy: -83.032
Base-Backbone interact. energy: -0.882
local terms energy: -99.967631
where:
bonds (distance) C4'-P energy: -27.422
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -126.993593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.993593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.993593 (E_RNA)
where:
Base-Base interactions energy: -49.237
where: short stacking energy: -49.237
Base-Backbone interact. energy: -0.320
local terms energy: -77.436434
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -106.748279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.748279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.748279 (E_RNA)
where:
Base-Base interactions energy: -35.367
where: short stacking energy: -35.367
Base-Backbone interact. energy: -0.175
local terms energy: -71.205700
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: 7.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -366.427376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.427376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.427376 (E_RNA)
where:
Base-Base interactions energy: -237.998
where: short stacking energy: -97.350
Base-Backbone interact. energy: -0.049
local terms energy: -128.379490
where:
bonds (distance) C4'-P energy: -27.081
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -28.933
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -374.200380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.200380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.200380 (E_RNA)
where:
Base-Base interactions energy: -247.997
where: short stacking energy: -103.999
Base-Backbone interact. energy: -0.762
local terms energy: -125.441302
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -27.264
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -27.441
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: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -318.201601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.201601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.201601 (E_RNA)
where:
Base-Base interactions energy: -200.381
where: short stacking energy: -96.678
Base-Backbone interact. energy: -0.219
local terms energy: -117.601722
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -17.782
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: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -289.756926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.756926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.756926 (E_RNA)
where:
Base-Base interactions energy: -183.670
where: short stacking energy: -83.055
Base-Backbone interact. energy: -0.327
local terms energy: -105.759478
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -22.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -291.686592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.686592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.686592 (E_RNA)
where:
Base-Base interactions energy: -178.420
where: short stacking energy: -83.936
Base-Backbone interact. energy: -0.173
local terms energy: -113.093217
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -15.896
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: 6, replica: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -289.651350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.651350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.651350 (E_RNA)
where:
Base-Base interactions energy: -194.962
where: short stacking energy: -81.371
Base-Backbone interact. energy: 0.065
local terms energy: -94.754133
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -259.112197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.112197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.112197 (E_RNA)
where:
Base-Base interactions energy: -159.516
where: short stacking energy: -77.152
Base-Backbone interact. energy: -0.462
local terms energy: -99.134406
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -27.226
flat angles P-C4'-P energy: -14.079
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: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -251.053974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.053974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.053974 (E_RNA)
where:
Base-Base interactions energy: -155.015
where: short stacking energy: -77.493
Base-Backbone interact. energy: -0.411
local terms energy: -95.627688
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -122.117936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.117936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.117936 (E_RNA)
where:
Base-Base interactions energy: -33.896
where: short stacking energy: -28.385
Base-Backbone interact. energy: -0.183
local terms energy: -88.038949
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -27.537
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -4.038
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: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -112.977222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.977222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.977222 (E_RNA)
where:
Base-Base interactions energy: -43.020
where: short stacking energy: -33.394
Base-Backbone interact. energy: -0.591
local terms energy: -69.366027
where:
bonds (distance) C4'-P energy: -24.371
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -386.152071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.152071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.152071 (E_RNA)
where:
Base-Base interactions energy: -258.498
where: short stacking energy: -110.680
Base-Backbone interact. energy: -0.706
local terms energy: -126.947267
where:
bonds (distance) C4'-P energy: -26.546
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -33.061
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: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -350.300532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.300532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.300532 (E_RNA)
where:
Base-Base interactions energy: -237.706
where: short stacking energy: -103.832
Base-Backbone interact. energy: -0.010
local terms energy: -112.585133
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -23.732
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -31.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -323.548959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.548959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.548959 (E_RNA)
where:
Base-Base interactions energy: -213.417
where: short stacking energy: -96.030
Base-Backbone interact. energy: -0.086
local terms energy: -110.045655
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -276.645115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.645115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.645115 (E_RNA)
where:
Base-Base interactions energy: -161.179
where: short stacking energy: -84.090
Base-Backbone interact. energy: -0.867
local terms energy: -114.598280
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -23.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -272.279956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.279956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.279956 (E_RNA)
where:
Base-Base interactions energy: -181.993
where: short stacking energy: -75.545
Base-Backbone interact. energy: -0.380
local terms energy: -89.907363
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -16.373
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: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -288.985881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.985881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.985881 (E_RNA)
where:
Base-Base interactions energy: -193.935
where: short stacking energy: -84.014
Base-Backbone interact. energy: -0.009
local terms energy: -95.040897
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -25.725
flat angles P-C4'-P energy: -5.138
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: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -255.425869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.425869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.425869 (E_RNA)
where:
Base-Base interactions energy: -165.617
where: short stacking energy: -74.222
Base-Backbone interact. energy: -0.374
local terms energy: -89.434425
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -11.929
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: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -216.633833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.633833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.633833 (E_RNA)
where:
Base-Base interactions energy: -133.989
where: short stacking energy: -54.815
Base-Backbone interact. energy: -0.607
local terms energy: -82.038007
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -135.337735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.337735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.337735 (E_RNA)
where:
Base-Base interactions energy: -46.108
where: short stacking energy: -46.957
Base-Backbone interact. energy: -0.299
local terms energy: -88.931280
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -9.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -118.816525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.816525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.816525 (E_RNA)
where:
Base-Base interactions energy: -37.674
where: short stacking energy: -31.431
Base-Backbone interact. energy: -1.537
local terms energy: -79.605673
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -23.931
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -3.425
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: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -376.413307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.413307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.413307 (E_RNA)
where:
Base-Base interactions energy: -246.979
where: short stacking energy: -107.957
Base-Backbone interact. energy: -0.217
local terms energy: -129.217083
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -28.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -361.959179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.959179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.959179 (E_RNA)
where:
Base-Base interactions energy: -230.376
where: short stacking energy: -110.165
Base-Backbone interact. energy: -0.032
local terms energy: -131.550725
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -30.132
flat angles P-C4'-P energy: -19.688
tors. eta vs tors. theta energy: -35.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -342.187064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.187064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.187064 (E_RNA)
where:
Base-Base interactions energy: -226.403
where: short stacking energy: -97.391
Base-Backbone interact. energy: -0.233
local terms energy: -115.551144
where:
bonds (distance) C4'-P energy: -26.909
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -25.215
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: 243
Temperature: 1.050000
Total energy: -278.695696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.695696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.695696 (E_RNA)
where:
Base-Base interactions energy: -174.086
where: short stacking energy: -74.813
Base-Backbone interact. energy: -2.472
local terms energy: -102.137513
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -28.549
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -270.766115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.766115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.766115 (E_RNA)
where:
Base-Base interactions energy: -168.858
where: short stacking energy: -80.004
Base-Backbone interact. energy: 0.354
local terms energy: -102.263044
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -24.569
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -282.830339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.830339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.830339 (E_RNA)
where:
Base-Base interactions energy: -181.446
where: short stacking energy: -85.664
Base-Backbone interact. energy: -1.459
local terms energy: -99.925101
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -22.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -260.674756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.674756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.674756 (E_RNA)
where:
Base-Base interactions energy: -159.787
where: short stacking energy: -84.445
Base-Backbone interact. energy: -0.218
local terms energy: -100.669881
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -240.502825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.502825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.502825 (E_RNA)
where:
Base-Base interactions energy: -159.790
where: short stacking energy: -67.445
Base-Backbone interact. energy: 0.356
local terms energy: -81.068624
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -9.505
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: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -128.663524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.663524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.663524 (E_RNA)
where:
Base-Base interactions energy: -54.159
where: short stacking energy: -38.269
Base-Backbone interact. energy: -0.323
local terms energy: -74.181609
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -130.435729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.435729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.435729 (E_RNA)
where:
Base-Base interactions energy: -53.909
where: short stacking energy: -47.175
Base-Backbone interact. energy: 0.123
local terms energy: -76.649881
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -9.480
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: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -379.063854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.063854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.063854 (E_RNA)
where:
Base-Base interactions energy: -249.372
where: short stacking energy: -119.627
Base-Backbone interact. energy: -0.667
local terms energy: -129.024896
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -27.297
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -37.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -368.356230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.356230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.356230 (E_RNA)
where:
Base-Base interactions energy: -249.674
where: short stacking energy: -106.464
Base-Backbone interact. energy: -1.860
local terms energy: -116.822262
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -28.076
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -28.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -356.851980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.851980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.851980 (E_RNA)
where:
Base-Base interactions energy: -231.212
where: short stacking energy: -112.407
Base-Backbone interact. energy: -0.657
local terms energy: -124.982914
where:
bonds (distance) C4'-P energy: -24.727
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -20.228
tors. eta vs tors. theta energy: -31.557
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: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -296.501278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.501278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.501278 (E_RNA)
where:
Base-Base interactions energy: -179.332
where: short stacking energy: -86.474
Base-Backbone interact. energy: -0.110
local terms energy: -117.059771
where:
bonds (distance) C4'-P energy: -23.770
bonds (distance) P-C4' energy: -27.954
flat angles C4'-P-C4' energy: -26.272
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -281.139804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.139804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.139804 (E_RNA)
where:
Base-Base interactions energy: -179.854
where: short stacking energy: -93.994
Base-Backbone interact. energy: -0.245
local terms energy: -101.040732
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -25.032
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -267.482222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.482222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.482222 (E_RNA)
where:
Base-Base interactions energy: -172.300
where: short stacking energy: -83.142
Base-Backbone interact. energy: -0.696
local terms energy: -94.486171
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -273.586365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.586365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.586365 (E_RNA)
where:
Base-Base interactions energy: -177.886
where: short stacking energy: -75.013
Base-Backbone interact. energy: -0.197
local terms energy: -95.503965
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -251.724572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.724572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.724572 (E_RNA)
where:
Base-Base interactions energy: -172.256
where: short stacking energy: -86.227
Base-Backbone interact. energy: -1.556
local terms energy: -77.912602
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -161.208644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.208644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.208644 (E_RNA)
where:
Base-Base interactions energy: -91.732
where: short stacking energy: -57.072
Base-Backbone interact. energy: -0.125
local terms energy: -69.352016
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -157.607517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.607517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.607517 (E_RNA)
where:
Base-Base interactions energy: -91.335
where: short stacking energy: -43.675
Base-Backbone interact. energy: 0.461
local terms energy: -66.732761
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: 0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -364.850817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.850817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.850817 (E_RNA)
where:
Base-Base interactions energy: -230.014
where: short stacking energy: -105.635
Base-Backbone interact. energy: 1.115
local terms energy: -135.951631
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -20.869
tors. eta vs tors. theta energy: -37.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -357.487935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.487935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.487935 (E_RNA)
where:
Base-Base interactions energy: -237.853
where: short stacking energy: -97.531
Base-Backbone interact. energy: -0.403
local terms energy: -119.231951
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -26.573
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -30.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -348.509740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.509740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.509740 (E_RNA)
where:
Base-Base interactions energy: -230.731
where: short stacking energy: -97.211
Base-Backbone interact. energy: -1.634
local terms energy: -116.144718
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -25.497
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -299.661303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.661303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.661303 (E_RNA)
where:
Base-Base interactions energy: -178.247
where: short stacking energy: -89.568
Base-Backbone interact. energy: -0.831
local terms energy: -120.583918
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -26.024
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -29.383
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: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -267.217344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.217344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.217344 (E_RNA)
where:
Base-Base interactions energy: -160.031
where: short stacking energy: -73.788
Base-Backbone interact. energy: -0.554
local terms energy: -106.631894
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -15.027
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: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -274.776792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.776792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.776792 (E_RNA)
where:
Base-Base interactions energy: -177.665
where: short stacking energy: -82.404
Base-Backbone interact. energy: 0.368
local terms energy: -97.479967
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -248.575810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.575810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.575810 (E_RNA)
where:
Base-Base interactions energy: -157.416
where: short stacking energy: -68.338
Base-Backbone interact. energy: -0.144
local terms energy: -91.016041
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -253.531422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.531422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.531422 (E_RNA)
where:
Base-Base interactions energy: -163.276
where: short stacking energy: -73.758
Base-Backbone interact. energy: 3.218
local terms energy: -93.473138
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -18.418
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: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -140.332061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.332061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.332061 (E_RNA)
where:
Base-Base interactions energy: -71.195
where: short stacking energy: -44.686
Base-Backbone interact. energy: -0.247
local terms energy: -68.889908
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: 3.378
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: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -182.187666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.187666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.187666 (E_RNA)
where:
Base-Base interactions energy: -90.909
where: short stacking energy: -41.430
Base-Backbone interact. energy: -0.122
local terms energy: -91.157005
where:
bonds (distance) C4'-P energy: -25.762
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -6.530
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: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -369.786670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.786670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.786670 (E_RNA)
where:
Base-Base interactions energy: -238.456
where: short stacking energy: -115.404
Base-Backbone interact. energy: -0.001
local terms energy: -131.330221
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -38.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -369.647680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.647680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.647680 (E_RNA)
where:
Base-Base interactions energy: -241.842
where: short stacking energy: -101.225
Base-Backbone interact. energy: -1.444
local terms energy: -126.361219
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -29.182
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -33.516
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: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -346.543392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.543392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.543392 (E_RNA)
where:
Base-Base interactions energy: -227.812
where: short stacking energy: -91.116
Base-Backbone interact. energy: -0.368
local terms energy: -118.363114
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -29.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -308.598831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.598831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.598831 (E_RNA)
where:
Base-Base interactions energy: -187.147
where: short stacking energy: -85.935
Base-Backbone interact. energy: -1.020
local terms energy: -120.431102
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -27.567
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: 9
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -289.052987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.052987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.052987 (E_RNA)
where:
Base-Base interactions energy: -191.425
where: short stacking energy: -84.565
Base-Backbone interact. energy: -1.481
local terms energy: -96.146771
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -290.224238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.224238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.224238 (E_RNA)
where:
Base-Base interactions energy: -177.372
where: short stacking energy: -86.017
Base-Backbone interact. energy: -1.233
local terms energy: -111.619629
where:
bonds (distance) C4'-P energy: -26.367
bonds (distance) P-C4' energy: -24.615
flat angles C4'-P-C4' energy: -27.252
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -19.819
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: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -272.798994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.798994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.798994 (E_RNA)
where:
Base-Base interactions energy: -173.907
where: short stacking energy: -85.007
Base-Backbone interact. energy: -0.114
local terms energy: -98.778090
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -249.181103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.181103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.181103 (E_RNA)
where:
Base-Base interactions energy: -146.899
where: short stacking energy: -70.906
Base-Backbone interact. energy: -0.133
local terms energy: -102.148930
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -26.341
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -177.079607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.079607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.079607 (E_RNA)
where:
Base-Base interactions energy: -105.333
where: short stacking energy: -35.836
Base-Backbone interact. energy: -0.305
local terms energy: -71.441159
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: 8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -119.648759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.648759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.648759 (E_RNA)
where:
Base-Base interactions energy: -42.880
where: short stacking energy: -34.233
Base-Backbone interact. energy: -0.252
local terms energy: -76.517112
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -27.347
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -362.840074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.840074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.840074 (E_RNA)
where:
Base-Base interactions energy: -235.417
where: short stacking energy: -112.902
Base-Backbone interact. energy: -0.018
local terms energy: -127.404829
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -29.134
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -31.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -370.914143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.914143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.914143 (E_RNA)
where:
Base-Base interactions energy: -243.879
where: short stacking energy: -100.357
Base-Backbone interact. energy: -0.457
local terms energy: -126.578194
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -33.753
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: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -335.557320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.557320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.557320 (E_RNA)
where:
Base-Base interactions energy: -217.342
where: short stacking energy: -101.854
Base-Backbone interact. energy: -0.676
local terms energy: -117.539439
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: -28.493
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: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -313.213707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.213707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.213707 (E_RNA)
where:
Base-Base interactions energy: -212.936
where: short stacking energy: -100.437
Base-Backbone interact. energy: -0.201
local terms energy: -100.076665
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -300.630040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.630040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.630040 (E_RNA)
where:
Base-Base interactions energy: -198.880
where: short stacking energy: -103.641
Base-Backbone interact. energy: -0.127
local terms energy: -101.623384
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -24.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -272.666541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.666541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.666541 (E_RNA)
where:
Base-Base interactions energy: -164.832
where: short stacking energy: -81.485
Base-Backbone interact. energy: -1.559
local terms energy: -106.275481
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -264.991820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.991820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.991820 (E_RNA)
where:
Base-Base interactions energy: -173.005
where: short stacking energy: -73.354
Base-Backbone interact. energy: -0.065
local terms energy: -91.921498
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -257.265650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.265650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.265650 (E_RNA)
where:
Base-Base interactions energy: -156.771
where: short stacking energy: -73.698
Base-Backbone interact. energy: -0.014
local terms energy: -100.480961
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -13.943
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: 9, replica: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -178.660943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.660943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.660943 (E_RNA)
where:
Base-Base interactions energy: -103.025
where: short stacking energy: -51.910
Base-Backbone interact. energy: -0.306
local terms energy: -75.330386
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -117.982585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.982585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.982585 (E_RNA)
where:
Base-Base interactions energy: -41.890
where: short stacking energy: -38.967
Base-Backbone interact. energy: -0.347
local terms energy: -75.745854
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -364.212017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.212017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.212017 (E_RNA)
where:
Base-Base interactions energy: -247.251
where: short stacking energy: -92.754
Base-Backbone interact. energy: -1.273
local terms energy: -115.688477
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: -30.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -357.121939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.121939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.121939 (E_RNA)
where:
Base-Base interactions energy: -238.520
where: short stacking energy: -97.752
Base-Backbone interact. energy: -0.686
local terms energy: -117.915652
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -31.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -343.855705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.855705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.855705 (E_RNA)
where:
Base-Base interactions energy: -235.101
where: short stacking energy: -88.985
Base-Backbone interact. energy: -0.818
local terms energy: -107.937427
where:
bonds (distance) C4'-P energy: -21.545
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -301.477408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.477408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.477408 (E_RNA)
where:
Base-Base interactions energy: -193.548
where: short stacking energy: -80.742
Base-Backbone interact. energy: -0.210
local terms energy: -107.719435
where:
bonds (distance) C4'-P energy: -27.562
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -296.504723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.504723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.504723 (E_RNA)
where:
Base-Base interactions energy: -186.568
where: short stacking energy: -82.993
Base-Backbone interact. energy: -0.935
local terms energy: -109.000975
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -22.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -260.392547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.392547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.392547 (E_RNA)
where:
Base-Base interactions energy: -163.213
where: short stacking energy: -70.750
Base-Backbone interact. energy: -0.458
local terms energy: -96.721267
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -244.663038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.663038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.663038 (E_RNA)
where:
Base-Base interactions energy: -141.710
where: short stacking energy: -64.651
Base-Backbone interact. energy: 0.328
local terms energy: -103.281547
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -26.712
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -222.489944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.489944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.489944 (E_RNA)
where:
Base-Base interactions energy: -131.288
where: short stacking energy: -71.573
Base-Backbone interact. energy: -0.508
local terms energy: -90.694032
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -23.241
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -7.168
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: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -120.070355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.070355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.070355 (E_RNA)
where:
Base-Base interactions energy: -42.392
where: short stacking energy: -40.683
Base-Backbone interact. energy: -0.147
local terms energy: -77.531248
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -183.352479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.352479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.352479 (E_RNA)
where:
Base-Base interactions energy: -92.513
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.414
local terms energy: -90.425350
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -363.673956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.673956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.673956 (E_RNA)
where:
Base-Base interactions energy: -240.693
where: short stacking energy: -107.822
Base-Backbone interact. energy: -0.049
local terms energy: -122.932269
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: -29.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -367.779812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.779812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.779812 (E_RNA)
where:
Base-Base interactions energy: -231.993
where: short stacking energy: -114.149
Base-Backbone interact. energy: -0.169
local terms energy: -135.617288
where:
bonds (distance) C4'-P energy: -29.347
bonds (distance) P-C4' energy: -27.268
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -34.556
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: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -353.759788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.759788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.759788 (E_RNA)
where:
Base-Base interactions energy: -234.606
where: short stacking energy: -93.654
Base-Backbone interact. energy: -1.073
local terms energy: -118.080511
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -17.983
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: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -311.245040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.245040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.245040 (E_RNA)
where:
Base-Base interactions energy: -207.282
where: short stacking energy: -89.606
Base-Backbone interact. energy: -0.166
local terms energy: -103.796704
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -281.719237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.719237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.719237 (E_RNA)
where:
Base-Base interactions energy: -172.871
where: short stacking energy: -88.216
Base-Backbone interact. energy: -0.254
local terms energy: -108.594218
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -25.860
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -23.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -292.266673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.266673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.266673 (E_RNA)
where:
Base-Base interactions energy: -189.226
where: short stacking energy: -91.060
Base-Backbone interact. energy: -1.603
local terms energy: -101.438445
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -25.155
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: 249
Temperature: 1.200000
Total energy: -238.873425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.873425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.873425 (E_RNA)
where:
Base-Base interactions energy: -145.190
where: short stacking energy: -78.172
Base-Backbone interact. energy: -1.008
local terms energy: -92.675354
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -214.730392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.730392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.730392 (E_RNA)
where:
Base-Base interactions energy: -123.734
where: short stacking energy: -55.025
Base-Backbone interact. energy: -0.159
local terms energy: -90.837079
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -11.904
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: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -118.316998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.316998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.316998 (E_RNA)
where:
Base-Base interactions energy: -49.351
where: short stacking energy: -34.443
Base-Backbone interact. energy: -0.038
local terms energy: -68.928224
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: 2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -162.770480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.770480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.770480 (E_RNA)
where:
Base-Base interactions energy: -85.457
where: short stacking energy: -40.315
Base-Backbone interact. energy: -0.557
local terms energy: -76.756402
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -363.241316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.241316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.241316 (E_RNA)
where:
Base-Base interactions energy: -231.324
where: short stacking energy: -114.569
Base-Backbone interact. energy: 2.048
local terms energy: -133.966163
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -30.124
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -35.937
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: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -363.382666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.382666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.382666 (E_RNA)
where:
Base-Base interactions energy: -253.461
where: short stacking energy: -111.303
Base-Backbone interact. energy: 0.802
local terms energy: -110.723168
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -26.373
flat angles P-C4'-P energy: -12.956
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: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -345.757268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.757268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.757268 (E_RNA)
where:
Base-Base interactions energy: -229.347
where: short stacking energy: -87.559
Base-Backbone interact. energy: -1.302
local terms energy: -115.107850
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -26.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -294.446922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.446922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.446922 (E_RNA)
where:
Base-Base interactions energy: -179.509
where: short stacking energy: -94.685
Base-Backbone interact. energy: -0.318
local terms energy: -114.619926
where:
bonds (distance) C4'-P energy: -27.687
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -14.459
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: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -291.401396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.401396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.401396 (E_RNA)
where:
Base-Base interactions energy: -191.795
where: short stacking energy: -74.684
Base-Backbone interact. energy: -0.462
local terms energy: -99.144477
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -279.509337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.509337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.509337 (E_RNA)
where:
Base-Base interactions energy: -174.201
where: short stacking energy: -79.353
Base-Backbone interact. energy: 0.547
local terms energy: -105.854794
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -22.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -279.437637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.437637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.437637 (E_RNA)
where:
Base-Base interactions energy: -165.376
where: short stacking energy: -67.669
Base-Backbone interact. energy: -1.274
local terms energy: -112.788087
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -23.802
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -239.624249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.624249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.624249 (E_RNA)
where:
Base-Base interactions energy: -140.416
where: short stacking energy: -58.535
Base-Backbone interact. energy: -1.156
local terms energy: -98.052749
where:
bonds (distance) C4'-P energy: -23.063
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -168.368933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.368933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.368933 (E_RNA)
where:
Base-Base interactions energy: -90.773
where: short stacking energy: -44.482
Base-Backbone interact. energy: 1.729
local terms energy: -79.324887
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -6.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -115.495623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.495623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.495623 (E_RNA)
where:
Base-Base interactions energy: -39.342
where: short stacking energy: -28.981
Base-Backbone interact. energy: -0.552
local terms energy: -75.601287
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: 1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -361.097265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.097265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.097265 (E_RNA)
where:
Base-Base interactions energy: -228.987
where: short stacking energy: -110.383
Base-Backbone interact. energy: -0.215
local terms energy: -131.895186
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -33.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -363.502758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.502758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.502758 (E_RNA)
where:
Base-Base interactions energy: -240.952
where: short stacking energy: -106.261
Base-Backbone interact. energy: -0.138
local terms energy: -122.413237
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -31.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -348.643611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.643611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.643611 (E_RNA)
where:
Base-Base interactions energy: -232.427
where: short stacking energy: -106.140
Base-Backbone interact. energy: -0.737
local terms energy: -115.479286
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -29.797
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: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -305.044731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.044731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.044731 (E_RNA)
where:
Base-Base interactions energy: -203.125
where: short stacking energy: -100.286
Base-Backbone interact. energy: -0.448
local terms energy: -101.471706
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -24.267
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: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -302.506506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.506506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.506506 (E_RNA)
where:
Base-Base interactions energy: -197.790
where: short stacking energy: -81.157
Base-Backbone interact. energy: 0.417
local terms energy: -105.133519
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -288.846257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.846257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.846257 (E_RNA)
where:
Base-Base interactions energy: -181.801
where: short stacking energy: -90.636
Base-Backbone interact. energy: 1.041
local terms energy: -108.086258
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -24.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -258.886352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.886352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.886352 (E_RNA)
where:
Base-Base interactions energy: -158.799
where: short stacking energy: -70.105
Base-Backbone interact. energy: -0.306
local terms energy: -99.781380
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -26.548
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -238.314797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.314797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.314797 (E_RNA)
where:
Base-Base interactions energy: -139.881
where: short stacking energy: -70.039
Base-Backbone interact. energy: -0.601
local terms energy: -97.832644
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -27.614
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -13.401
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: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -189.287062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.287062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.287062 (E_RNA)
where:
Base-Base interactions energy: -129.446
where: short stacking energy: -54.507
Base-Backbone interact. energy: 0.754
local terms energy: -60.595618
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -117.892870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.892870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.892870 (E_RNA)
where:
Base-Base interactions energy: -59.565
where: short stacking energy: -35.059
Base-Backbone interact. energy: -1.593
local terms energy: -56.734769
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: 6.405
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: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -363.080121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.080121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.080121 (E_RNA)
where:
Base-Base interactions energy: -239.046
where: short stacking energy: -112.331
Base-Backbone interact. energy: -1.671
local terms energy: -122.363015
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -31.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -365.733720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.733720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.733720 (E_RNA)
where:
Base-Base interactions energy: -234.892
where: short stacking energy: -115.560
Base-Backbone interact. energy: -0.064
local terms energy: -130.778356
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -33.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -356.440081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.440081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.440081 (E_RNA)
where:
Base-Base interactions energy: -234.989
where: short stacking energy: -103.936
Base-Backbone interact. energy: -0.895
local terms energy: -120.556531
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -25.320
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -31.824
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: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -292.107769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.107769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.107769 (E_RNA)
where:
Base-Base interactions energy: -192.865
where: short stacking energy: -78.282
Base-Backbone interact. energy: 0.367
local terms energy: -99.608961
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -289.425155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.425155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.425155 (E_RNA)
where:
Base-Base interactions energy: -174.354
where: short stacking energy: -92.404
Base-Backbone interact. energy: -0.685
local terms energy: -114.386013
where:
bonds (distance) C4'-P energy: -23.540
bonds (distance) P-C4' energy: -24.857
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -25.129
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: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -277.405238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.405238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.405238 (E_RNA)
where:
Base-Base interactions energy: -171.740
where: short stacking energy: -90.972
Base-Backbone interact. energy: -0.105
local terms energy: -105.560254
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -26.649
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -23.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -248.478332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.478332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.478332 (E_RNA)
where:
Base-Base interactions energy: -159.313
where: short stacking energy: -67.205
Base-Backbone interact. energy: -0.211
local terms energy: -88.953817
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -22.083
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: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -242.625648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.625648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.625648 (E_RNA)
where:
Base-Base interactions energy: -144.469
where: short stacking energy: -65.551
Base-Backbone interact. energy: -0.013
local terms energy: -98.143283
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -24.661
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -184.264410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.264410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.264410 (E_RNA)
where:
Base-Base interactions energy: -102.685
where: short stacking energy: -39.574
Base-Backbone interact. energy: -0.269
local terms energy: -81.310241
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -110.236363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.236363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.236363 (E_RNA)
where:
Base-Base interactions energy: -36.826
where: short stacking energy: -27.960
Base-Backbone interact. energy: 1.536
local terms energy: -74.946798
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -25.483
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: 2.997
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: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -362.006186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.006186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.006186 (E_RNA)
where:
Base-Base interactions energy: -241.792
where: short stacking energy: -96.764
Base-Backbone interact. energy: -0.111
local terms energy: -120.103017
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -33.084
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: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -373.250366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.250366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.250366 (E_RNA)
where:
Base-Base interactions energy: -257.577
where: short stacking energy: -110.716
Base-Backbone interact. energy: -1.241
local terms energy: -114.432090
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -28.507
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -31.289
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: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -361.802830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.802830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.802830 (E_RNA)
where:
Base-Base interactions energy: -238.194
where: short stacking energy: -117.609
Base-Backbone interact. energy: -0.004
local terms energy: -123.605211
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: -34.634
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: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -295.854414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.854414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.854414 (E_RNA)
where:
Base-Base interactions energy: -184.670
where: short stacking energy: -84.807
Base-Backbone interact. energy: 0.476
local terms energy: -111.660578
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -299.618903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.618903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.618903 (E_RNA)
where:
Base-Base interactions energy: -196.117
where: short stacking energy: -82.349
Base-Backbone interact. energy: -0.183
local terms energy: -103.319010
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -285.687437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.687437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.687437 (E_RNA)
where:
Base-Base interactions energy: -182.056
where: short stacking energy: -81.057
Base-Backbone interact. energy: -0.717
local terms energy: -102.914130
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -21.071
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: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -257.516828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.516828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.516828 (E_RNA)
where:
Base-Base interactions energy: -152.893
where: short stacking energy: -64.652
Base-Backbone interact. energy: 0.009
local terms energy: -104.632729
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -249.749927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.749927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.749927 (E_RNA)
where:
Base-Base interactions energy: -164.451
where: short stacking energy: -73.033
Base-Backbone interact. energy: -0.673
local terms energy: -84.626470
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -9.821
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: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -174.617019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.617019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.617019 (E_RNA)
where:
Base-Base interactions energy: -95.823
where: short stacking energy: -38.578
Base-Backbone interact. energy: -0.546
local terms energy: -78.248262
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -26.567
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -140.644573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.644573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.644573 (E_RNA)
where:
Base-Base interactions energy: -63.357
where: short stacking energy: -51.861
Base-Backbone interact. energy: 0.368
local terms energy: -77.656044
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -8.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -383.043399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.043399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.043399 (E_RNA)
where:
Base-Base interactions energy: -255.649
where: short stacking energy: -104.295
Base-Backbone interact. energy: -0.664
local terms energy: -126.730599
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -28.182
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: -32.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -363.272760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.272760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.272760 (E_RNA)
where:
Base-Base interactions energy: -248.610
where: short stacking energy: -112.949
Base-Backbone interact. energy: -0.025
local terms energy: -114.637250
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -29.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -354.455648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.455648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.455648 (E_RNA)
where:
Base-Base interactions energy: -224.754
where: short stacking energy: -108.862
Base-Backbone interact. energy: -0.015
local terms energy: -129.686569
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -32.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -295.699998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.699998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.699998 (E_RNA)
where:
Base-Base interactions energy: -190.280
where: short stacking energy: -81.415
Base-Backbone interact. energy: -0.385
local terms energy: -105.034943
where:
bonds (distance) C4'-P energy: -25.490
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -18.408
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: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -270.848173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.848173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.848173 (E_RNA)
where:
Base-Base interactions energy: -177.061
where: short stacking energy: -74.804
Base-Backbone interact. energy: 1.215
local terms energy: -95.001579
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -16.322
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: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -305.788395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.788395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.788395 (E_RNA)
where:
Base-Base interactions energy: -202.089
where: short stacking energy: -82.521
Base-Backbone interact. energy: 0.828
local terms energy: -104.526474
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -27.534
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -28.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -253.913767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.913767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.913767 (E_RNA)
where:
Base-Base interactions energy: -160.573
where: short stacking energy: -66.348
Base-Backbone interact. energy: -0.245
local terms energy: -93.095805
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -13.629
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: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -244.585664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.585664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.585664 (E_RNA)
where:
Base-Base interactions energy: -147.557
where: short stacking energy: -66.216
Base-Backbone interact. energy: -0.173
local terms energy: -96.855069
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -188.518264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.518264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.518264 (E_RNA)
where:
Base-Base interactions energy: -113.500
where: short stacking energy: -57.704
Base-Backbone interact. energy: 1.804
local terms energy: -76.822172
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -114.345529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.345529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.345529 (E_RNA)
where:
Base-Base interactions energy: -55.139
where: short stacking energy: -21.221
Base-Backbone interact. energy: 0.825
local terms energy: -60.031432
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: 10.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -380.558367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.558367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.558367 (E_RNA)
where:
Base-Base interactions energy: -248.221
where: short stacking energy: -104.330
Base-Backbone interact. energy: -1.055
local terms energy: -131.283183
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -28.057
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -32.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -373.737257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.737257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.737257 (E_RNA)
where:
Base-Base interactions energy: -243.881
where: short stacking energy: -117.214
Base-Backbone interact. energy: 0.283
local terms energy: -130.139515
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -343.676575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.676575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.676575 (E_RNA)
where:
Base-Base interactions energy: -234.689
where: short stacking energy: -100.701
Base-Backbone interact. energy: 1.808
local terms energy: -110.795273
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -28.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -285.933990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.933990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.933990 (E_RNA)
where:
Base-Base interactions energy: -177.168
where: short stacking energy: -95.881
Base-Backbone interact. energy: -0.379
local terms energy: -108.386862
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -24.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -292.125598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.125598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.125598 (E_RNA)
where:
Base-Base interactions energy: -174.748
where: short stacking energy: -78.826
Base-Backbone interact. energy: -0.283
local terms energy: -117.095110
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -27.174
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -24.213
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: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -278.940116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.940116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.940116 (E_RNA)
where:
Base-Base interactions energy: -175.893
where: short stacking energy: -78.812
Base-Backbone interact. energy: -0.226
local terms energy: -102.821302
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -22.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -276.589424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.589424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.589424 (E_RNA)
where:
Base-Base interactions energy: -174.843
where: short stacking energy: -75.742
Base-Backbone interact. energy: -0.614
local terms energy: -101.132747
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -26.977
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -25.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -229.719144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.719144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.719144 (E_RNA)
where:
Base-Base interactions energy: -138.773
where: short stacking energy: -71.931
Base-Backbone interact. energy: -0.085
local terms energy: -90.861484
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -14.952
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: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -196.211175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.211175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.211175 (E_RNA)
where:
Base-Base interactions energy: -101.786
where: short stacking energy: -49.937
Base-Backbone interact. energy: 0.720
local terms energy: -95.144696
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -110.112549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.112549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.112549 (E_RNA)
where:
Base-Base interactions energy: -34.534
where: short stacking energy: -25.867
Base-Backbone interact. energy: -0.969
local terms energy: -74.609546
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -373.666457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.666457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.666457 (E_RNA)
where:
Base-Base interactions energy: -255.450
where: short stacking energy: -102.993
Base-Backbone interact. energy: -1.630
local terms energy: -116.586895
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -29.107
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: 256
Temperature: 0.950000
Total energy: -353.032669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.032669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.032669 (E_RNA)
where:
Base-Base interactions energy: -226.698
where: short stacking energy: -100.066
Base-Backbone interact. energy: -0.266
local terms energy: -126.069102
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -17.608
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: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -339.081091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.081091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.081091 (E_RNA)
where:
Base-Base interactions energy: -223.514
where: short stacking energy: -101.963
Base-Backbone interact. energy: -0.630
local terms energy: -114.937693
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -24.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -305.560567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.560567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.560567 (E_RNA)
where:
Base-Base interactions energy: -202.026
where: short stacking energy: -81.836
Base-Backbone interact. energy: -0.276
local terms energy: -103.258421
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -23.014
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: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -283.407344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.407344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.407344 (E_RNA)
where:
Base-Base interactions energy: -178.615
where: short stacking energy: -76.580
Base-Backbone interact. energy: -0.065
local terms energy: -104.727516
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -21.114
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: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -280.431451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.431451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.431451 (E_RNA)
where:
Base-Base interactions energy: -181.892
where: short stacking energy: -83.804
Base-Backbone interact. energy: -0.227
local terms energy: -98.312991
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -18.153
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: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -226.730835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.730835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.730835 (E_RNA)
where:
Base-Base interactions energy: -133.529
where: short stacking energy: -66.830
Base-Backbone interact. energy: -0.591
local terms energy: -92.610874
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -263.638393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.638393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.638393 (E_RNA)
where:
Base-Base interactions energy: -164.044
where: short stacking energy: -71.492
Base-Backbone interact. energy: -1.308
local terms energy: -98.287143
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -194.108554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.108554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.108554 (E_RNA)
where:
Base-Base interactions energy: -110.587
where: short stacking energy: -55.164
Base-Backbone interact. energy: -0.444
local terms energy: -83.077141
where:
bonds (distance) C4'-P energy: -26.458
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -113.301844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.301844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.301844 (E_RNA)
where:
Base-Base interactions energy: -42.718
where: short stacking energy: -38.679
Base-Backbone interact. energy: 0.787
local terms energy: -71.370828
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: 0.217
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: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -371.203794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.203794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.203794 (E_RNA)
where:
Base-Base interactions energy: -254.915
where: short stacking energy: -104.639
Base-Backbone interact. energy: 0.030
local terms energy: -116.319018
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -26.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -358.424751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.424751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.424751 (E_RNA)
where:
Base-Base interactions energy: -219.727
where: short stacking energy: -105.654
Base-Backbone interact. energy: -0.625
local terms energy: -138.072472
where:
bonds (distance) C4'-P energy: -26.840
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -38.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -343.942721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.942721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.942721 (E_RNA)
where:
Base-Base interactions energy: -222.065
where: short stacking energy: -96.735
Base-Backbone interact. energy: -1.598
local terms energy: -120.279120
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -25.522
flat angles C4'-P-C4' energy: -26.200
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -28.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -290.555136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.555136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.555136 (E_RNA)
where:
Base-Base interactions energy: -184.985
where: short stacking energy: -99.651
Base-Backbone interact. energy: -0.061
local terms energy: -105.509363
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -18.570
tors. eta vs tors. theta energy: -21.615
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: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -270.616856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.616856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.616856 (E_RNA)
where:
Base-Base interactions energy: -182.774
where: short stacking energy: -75.063
Base-Backbone interact. energy: -0.638
local terms energy: -87.204244
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -12.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -275.641665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.641665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.641665 (E_RNA)
where:
Base-Base interactions energy: -173.464
where: short stacking energy: -78.232
Base-Backbone interact. energy: -0.232
local terms energy: -101.945973
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -218.319733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.319733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.319733 (E_RNA)
where:
Base-Base interactions energy: -134.655
where: short stacking energy: -49.233
Base-Backbone interact. energy: -0.999
local terms energy: -82.665943
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -233.515616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.515616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.515616 (E_RNA)
where:
Base-Base interactions energy: -139.469
where: short stacking energy: -59.975
Base-Backbone interact. energy: -0.038
local terms energy: -94.008879
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -15.517
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: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -229.890032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.890032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.890032 (E_RNA)
where:
Base-Base interactions energy: -148.779
where: short stacking energy: -65.326
Base-Backbone interact. energy: -0.288
local terms energy: -80.822973
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -103.061039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.061039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.061039 (E_RNA)
where:
Base-Base interactions energy: -34.510
where: short stacking energy: -33.766
Base-Backbone interact. energy: 0.020
local terms energy: -68.571531
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: 4.840
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: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -367.706348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.706348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.706348 (E_RNA)
where:
Base-Base interactions energy: -230.008
where: short stacking energy: -120.816
Base-Backbone interact. energy: -0.261
local terms energy: -137.437009
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -26.832
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -38.951
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: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -368.093665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.093665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.093665 (E_RNA)
where:
Base-Base interactions energy: -249.193
where: short stacking energy: -94.198
Base-Backbone interact. energy: -0.404
local terms energy: -118.496561
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -28.897
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: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -325.539185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.539185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.539185 (E_RNA)
where:
Base-Base interactions energy: -208.212
where: short stacking energy: -87.496
Base-Backbone interact. energy: -0.303
local terms energy: -117.024639
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -24.713
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: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -316.256296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.256296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.256296 (E_RNA)
where:
Base-Base interactions energy: -197.501
where: short stacking energy: -104.634
Base-Backbone interact. energy: -0.028
local terms energy: -118.727540
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -26.131
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -30.442
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: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -279.784712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.784712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.784712 (E_RNA)
where:
Base-Base interactions energy: -187.453
where: short stacking energy: -91.369
Base-Backbone interact. energy: -0.107
local terms energy: -92.225526
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -12.165
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: 258
Temperature: 1.150000
Total energy: -255.193237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.193237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.193237 (E_RNA)
where:
Base-Base interactions energy: -159.049
where: short stacking energy: -65.812
Base-Backbone interact. energy: 1.486
local terms energy: -97.630072
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -268.839707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.839707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.839707 (E_RNA)
where:
Base-Base interactions energy: -176.460
where: short stacking energy: -71.473
Base-Backbone interact. energy: -0.577
local terms energy: -91.802280
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -221.847021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.847021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.847021 (E_RNA)
where:
Base-Base interactions energy: -135.830
where: short stacking energy: -53.244
Base-Backbone interact. energy: -0.570
local terms energy: -85.446218
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -10.244
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: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -241.026867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.026867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.026867 (E_RNA)
where:
Base-Base interactions energy: -149.339
where: short stacking energy: -68.267
Base-Backbone interact. energy: -0.258
local terms energy: -91.430092
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -15.066
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: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -111.529797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.529797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.529797 (E_RNA)
where:
Base-Base interactions energy: -30.638
where: short stacking energy: -22.942
Base-Backbone interact. energy: -0.631
local terms energy: -80.261377
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -13.688
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: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -380.774955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.774955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.774955 (E_RNA)
where:
Base-Base interactions energy: -251.558
where: short stacking energy: -114.431
Base-Backbone interact. energy: -0.027
local terms energy: -129.189954
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -38.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -351.325189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.325189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.325189 (E_RNA)
where:
Base-Base interactions energy: -237.476
where: short stacking energy: -94.105
Base-Backbone interact. energy: 0.211
local terms energy: -114.061053
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -22.680
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: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -366.185111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.185111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.185111 (E_RNA)
where:
Base-Base interactions energy: -245.734
where: short stacking energy: -107.807
Base-Backbone interact. energy: -1.087
local terms energy: -119.364653
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -31.910
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: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -306.802640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.802640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.802640 (E_RNA)
where:
Base-Base interactions energy: -189.173
where: short stacking energy: -87.564
Base-Backbone interact. energy: 0.050
local terms energy: -117.679626
where:
bonds (distance) C4'-P energy: -28.076
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -28.162
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -21.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -303.024159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.024159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.024159 (E_RNA)
where:
Base-Base interactions energy: -183.668
where: short stacking energy: -92.929
Base-Backbone interact. energy: -0.113
local terms energy: -119.242684
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -30.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -266.344701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.344701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.344701 (E_RNA)
where:
Base-Base interactions energy: -172.357
where: short stacking energy: -73.187
Base-Backbone interact. energy: -0.811
local terms energy: -93.177421
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -258.615826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.615826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.615826 (E_RNA)
where:
Base-Base interactions energy: -159.448
where: short stacking energy: -80.250
Base-Backbone interact. energy: -0.175
local terms energy: -98.993231
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -19.655
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: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -205.152846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.152846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.152846 (E_RNA)
where:
Base-Base interactions energy: -117.602
where: short stacking energy: -52.797
Base-Backbone interact. energy: 2.254
local terms energy: -89.804745
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -229.466730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.466730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.466730 (E_RNA)
where:
Base-Base interactions energy: -144.121
where: short stacking energy: -49.831
Base-Backbone interact. energy: 0.441
local terms energy: -85.787222
where:
bonds (distance) C4'-P energy: -22.063
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -126.927826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.927826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.927826 (E_RNA)
where:
Base-Base interactions energy: -55.207
where: short stacking energy: -48.855
Base-Backbone interact. energy: -0.346
local terms energy: -71.375232
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -5.705
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: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -371.354019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.354019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.354019 (E_RNA)
where:
Base-Base interactions energy: -241.139
where: short stacking energy: -120.861
Base-Backbone interact. energy: -0.233
local terms energy: -129.981595
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -34.596
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: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -351.252050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.252050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.252050 (E_RNA)
where:
Base-Base interactions energy: -236.748
where: short stacking energy: -100.245
Base-Backbone interact. energy: -1.250
local terms energy: -113.253192
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -26.839
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: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -324.226303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.226303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.226303 (E_RNA)
where:
Base-Base interactions energy: -207.322
where: short stacking energy: -87.114
Base-Backbone interact. energy: -0.639
local terms energy: -116.265393
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -28.561
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -26.549
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: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -299.426698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.426698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.426698 (E_RNA)
where:
Base-Base interactions energy: -189.895
where: short stacking energy: -88.552
Base-Backbone interact. energy: 1.296
local terms energy: -110.827282
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -25.463
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -26.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -295.680100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.680100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.680100 (E_RNA)
where:
Base-Base interactions energy: -204.898
where: short stacking energy: -87.699
Base-Backbone interact. energy: 0.240
local terms energy: -91.022492
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -289.596895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.596895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.596895 (E_RNA)
where:
Base-Base interactions energy: -178.058
where: short stacking energy: -82.992
Base-Backbone interact. energy: -0.430
local terms energy: -111.108620
where:
bonds (distance) C4'-P energy: -26.533
bonds (distance) P-C4' energy: -21.093
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -25.958
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: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -265.323862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.323862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.323862 (E_RNA)
where:
Base-Base interactions energy: -165.571
where: short stacking energy: -75.960
Base-Backbone interact. energy: -1.247
local terms energy: -98.506023
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -257.438989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.438989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.438989 (E_RNA)
where:
Base-Base interactions energy: -161.693
where: short stacking energy: -73.896
Base-Backbone interact. energy: 0.951
local terms energy: -96.696835
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -17.518
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: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -209.511972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.511972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.511972 (E_RNA)
where:
Base-Base interactions energy: -122.712
where: short stacking energy: -50.894
Base-Backbone interact. energy: -0.298
local terms energy: -86.501616
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -112.322001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.322001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.322001 (E_RNA)
where:
Base-Base interactions energy: -38.135
where: short stacking energy: -23.644
Base-Backbone interact. energy: -0.346
local terms energy: -73.841189
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: 5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -357.213637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.213637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.213637 (E_RNA)
where:
Base-Base interactions energy: -229.581
where: short stacking energy: -105.766
Base-Backbone interact. energy: -0.048
local terms energy: -127.584796
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -22.167
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -356.182712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.182712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.182712 (E_RNA)
where:
Base-Base interactions energy: -245.206
where: short stacking energy: -97.911
Base-Backbone interact. energy: -0.512
local terms energy: -110.464347
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -26.906
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -24.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -338.503067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.503067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.503067 (E_RNA)
where:
Base-Base interactions energy: -220.632
where: short stacking energy: -99.531
Base-Backbone interact. energy: -0.818
local terms energy: -117.052358
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -29.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -293.702140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.702140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.702140 (E_RNA)
where:
Base-Base interactions energy: -179.071
where: short stacking energy: -88.499
Base-Backbone interact. energy: -0.149
local terms energy: -114.482588
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -26.503
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -28.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -289.305622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.305622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.305622 (E_RNA)
where:
Base-Base interactions energy: -174.491
where: short stacking energy: -87.046
Base-Backbone interact. energy: -0.153
local terms energy: -114.660995
where:
bonds (distance) C4'-P energy: -26.884
bonds (distance) P-C4' energy: -29.475
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -8.801
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: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -283.911032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.911032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.911032 (E_RNA)
where:
Base-Base interactions energy: -176.134
where: short stacking energy: -79.426
Base-Backbone interact. energy: -0.022
local terms energy: -107.755014
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -11.117
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: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -269.422711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.422711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.422711 (E_RNA)
where:
Base-Base interactions energy: -175.268
where: short stacking energy: -74.619
Base-Backbone interact. energy: -0.318
local terms energy: -93.836954
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -11.173
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: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -257.099224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.099224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.099224 (E_RNA)
where:
Base-Base interactions energy: -157.737
where: short stacking energy: -65.441
Base-Backbone interact. energy: -0.796
local terms energy: -98.566164
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -16.464
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: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -204.259132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.259132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.259132 (E_RNA)
where:
Base-Base interactions energy: -119.441
where: short stacking energy: -58.563
Base-Backbone interact. energy: -0.512
local terms energy: -84.306184
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -111.021987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.021987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.021987 (E_RNA)
where:
Base-Base interactions energy: -35.153
where: short stacking energy: -31.074
Base-Backbone interact. energy: -1.203
local terms energy: -74.666419
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -27.365
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: 2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -353.718503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.718503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.718503 (E_RNA)
where:
Base-Base interactions energy: -232.541
where: short stacking energy: -91.239
Base-Backbone interact. energy: -2.582
local terms energy: -118.595453
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -29.154
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -23.734
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: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -355.978838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.978838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.978838 (E_RNA)
where:
Base-Base interactions energy: -234.257
where: short stacking energy: -110.109
Base-Backbone interact. energy: -0.378
local terms energy: -121.343791
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -20.684
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: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -343.090778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.090778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.090778 (E_RNA)
where:
Base-Base interactions energy: -238.478
where: short stacking energy: -93.043
Base-Backbone interact. energy: -1.390
local terms energy: -103.223112
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -16.286
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: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -321.344265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.344265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.344265 (E_RNA)
where:
Base-Base interactions energy: -193.840
where: short stacking energy: -96.573
Base-Backbone interact. energy: -0.004
local terms energy: -127.500489
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -28.927
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -37.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -299.699840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.699840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.699840 (E_RNA)
where:
Base-Base interactions energy: -181.809
where: short stacking energy: -87.623
Base-Backbone interact. energy: -0.004
local terms energy: -117.886681
where:
bonds (distance) C4'-P energy: -22.083
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -29.237
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: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -272.021436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.021436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.021436 (E_RNA)
where:
Base-Base interactions energy: -168.828
where: short stacking energy: -74.729
Base-Backbone interact. energy: 1.147
local terms energy: -104.339839
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -17.087
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: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -279.599613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.599613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.599613 (E_RNA)
where:
Base-Base interactions energy: -185.996
where: short stacking energy: -77.717
Base-Backbone interact. energy: 0.422
local terms energy: -94.025616
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -255.604008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.604008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.604008 (E_RNA)
where:
Base-Base interactions energy: -160.543
where: short stacking energy: -86.636
Base-Backbone interact. energy: -0.298
local terms energy: -94.763007
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -7.492
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: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -206.064870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.064870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.064870 (E_RNA)
where:
Base-Base interactions energy: -130.207
where: short stacking energy: -66.395
Base-Backbone interact. energy: -0.610
local terms energy: -75.247870
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -116.993678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.993678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.993678 (E_RNA)
where:
Base-Base interactions energy: -39.958
where: short stacking energy: -34.185
Base-Backbone interact. energy: 0.042
local terms energy: -77.077665
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -370.350685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.350685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.350685 (E_RNA)
where:
Base-Base interactions energy: -249.522
where: short stacking energy: -102.811
Base-Backbone interact. energy: -0.312
local terms energy: -120.516441
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -14.233
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: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -349.974044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.974044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.974044 (E_RNA)
where:
Base-Base interactions energy: -231.015
where: short stacking energy: -100.860
Base-Backbone interact. energy: 0.809
local terms energy: -119.767930
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -31.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -342.998092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.998092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.998092 (E_RNA)
where:
Base-Base interactions energy: -225.442
where: short stacking energy: -102.111
Base-Backbone interact. energy: -0.867
local terms energy: -116.689470
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -19.222
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: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -301.925481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.925481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.925481 (E_RNA)
where:
Base-Base interactions energy: -196.708
where: short stacking energy: -89.123
Base-Backbone interact. energy: -0.012
local terms energy: -105.205098
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -20.598
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: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -308.439051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.439051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.439051 (E_RNA)
where:
Base-Base interactions energy: -187.609
where: short stacking energy: -84.414
Base-Backbone interact. energy: -0.122
local terms energy: -120.707981
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -26.927
flat angles C4'-P-C4' energy: -25.819
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -24.879
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: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -301.653947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.653947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.653947 (E_RNA)
where:
Base-Base interactions energy: -192.208
where: short stacking energy: -97.343
Base-Backbone interact. energy: 1.898
local terms energy: -111.343913
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -26.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -254.404465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.404465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.404465 (E_RNA)
where:
Base-Base interactions energy: -159.821
where: short stacking energy: -71.033
Base-Backbone interact. energy: -0.217
local terms energy: -94.365930
where:
bonds (distance) C4'-P energy: -24.654
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -271.771692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.771692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.771692 (E_RNA)
where:
Base-Base interactions energy: -174.817
where: short stacking energy: -79.486
Base-Backbone interact. energy: -0.517
local terms energy: -96.438496
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -209.547897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.547897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.547897 (E_RNA)
where:
Base-Base interactions energy: -117.701
where: short stacking energy: -62.577
Base-Backbone interact. energy: -0.193
local terms energy: -91.654043
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -119.450412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.450412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.450412 (E_RNA)
where:
Base-Base interactions energy: -48.572
where: short stacking energy: -32.489
Base-Backbone interact. energy: -0.387
local terms energy: -70.491734
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -369.352265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.352265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.352265 (E_RNA)
where:
Base-Base interactions energy: -241.582
where: short stacking energy: -109.338
Base-Backbone interact. energy: -0.040
local terms energy: -127.729725
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -34.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -363.695430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.695430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.695430 (E_RNA)
where:
Base-Base interactions energy: -239.046
where: short stacking energy: -104.710
Base-Backbone interact. energy: -0.449
local terms energy: -124.200430
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -26.733
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -32.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -352.936158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.936158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.936158 (E_RNA)
where:
Base-Base interactions energy: -238.514
where: short stacking energy: -116.406
Base-Backbone interact. energy: 0.338
local terms energy: -114.760670
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -32.126
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: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -274.788237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.788237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.788237 (E_RNA)
where:
Base-Base interactions energy: -157.007
where: short stacking energy: -77.321
Base-Backbone interact. energy: -0.086
local terms energy: -117.695347
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -26.269
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -24.830
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: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -306.898048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.898048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.898048 (E_RNA)
where:
Base-Base interactions energy: -192.572
where: short stacking energy: -86.518
Base-Backbone interact. energy: -0.015
local terms energy: -114.310553
where:
bonds (distance) C4'-P energy: -27.053
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -24.534
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: 264
Temperature: 1.150000
Total energy: -274.695873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.695873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.695873 (E_RNA)
where:
Base-Base interactions energy: -176.012
where: short stacking energy: -83.217
Base-Backbone interact. energy: -1.172
local terms energy: -97.511978
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -255.925626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.925626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.925626 (E_RNA)
where:
Base-Base interactions energy: -168.481
where: short stacking energy: -70.691
Base-Backbone interact. energy: -0.553
local terms energy: -86.891758
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -267.106727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.106727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.106727 (E_RNA)
where:
Base-Base interactions energy: -173.939
where: short stacking energy: -64.122
Base-Backbone interact. energy: 0.665
local terms energy: -93.832689
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -19.122
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: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -244.773130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.773130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.773130 (E_RNA)
where:
Base-Base interactions energy: -154.805
where: short stacking energy: -54.237
Base-Backbone interact. energy: -0.998
local terms energy: -88.969996
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -114.779463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.779463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.779463 (E_RNA)
where:
Base-Base interactions energy: -44.765
where: short stacking energy: -36.380
Base-Backbone interact. energy: -0.032
local terms energy: -69.982594
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -25.647
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: 3.653
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: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -358.890340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.890340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.890340 (E_RNA)
where:
Base-Base interactions energy: -236.712
where: short stacking energy: -112.231
Base-Backbone interact. energy: -0.124
local terms energy: -122.054316
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -26.828
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -31.734
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: 265
Temperature: 0.950000
Total energy: -376.752673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.752673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.752673 (E_RNA)
where:
Base-Base interactions energy: -243.624
where: short stacking energy: -111.332
Base-Backbone interact. energy: -1.237
local terms energy: -131.891904
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -28.662
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -32.298
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: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -350.658742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.658742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.658742 (E_RNA)
where:
Base-Base interactions energy: -230.098
where: short stacking energy: -82.694
Base-Backbone interact. energy: -0.164
local terms energy: -120.396785
where:
bonds (distance) C4'-P energy: -28.767
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -28.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -316.725658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.725658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.725658 (E_RNA)
where:
Base-Base interactions energy: -196.354
where: short stacking energy: -95.616
Base-Backbone interact. energy: -1.863
local terms energy: -118.508614
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -26.614
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -279.655201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.655201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.655201 (E_RNA)
where:
Base-Base interactions energy: -178.815
where: short stacking energy: -79.726
Base-Backbone interact. energy: -0.244
local terms energy: -100.596571
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -15.673
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: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -278.318038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.318038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.318038 (E_RNA)
where:
Base-Base interactions energy: -177.001
where: short stacking energy: -76.237
Base-Backbone interact. energy: -0.252
local terms energy: -101.065183
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -240.452944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.452944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.452944 (E_RNA)
where:
Base-Base interactions energy: -147.889
where: short stacking energy: -57.652
Base-Backbone interact. energy: -0.410
local terms energy: -92.153787
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -9.447
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: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -236.713044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.713044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.713044 (E_RNA)
where:
Base-Base interactions energy: -141.586
where: short stacking energy: -62.445
Base-Backbone interact. energy: 1.232
local terms energy: -96.359696
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -238.515851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.515851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.515851 (E_RNA)
where:
Base-Base interactions energy: -157.055
where: short stacking energy: -69.116
Base-Backbone interact. energy: 2.040
local terms energy: -83.500770
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -2.375
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -110.324347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.324347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.324347 (E_RNA)
where:
Base-Base interactions energy: -40.367
where: short stacking energy: -40.367
Base-Backbone interact. energy: -0.253
local terms energy: -69.703774
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -369.801826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.801826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.801826 (E_RNA)
where:
Base-Base interactions energy: -245.771
where: short stacking energy: -108.564
Base-Backbone interact. energy: -0.970
local terms energy: -123.060220
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -29.979
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -30.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -356.506110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.506110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.506110 (E_RNA)
where:
Base-Base interactions energy: -220.321
where: short stacking energy: -104.380
Base-Backbone interact. energy: -0.840
local terms energy: -135.345025
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -26.444
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -35.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -342.003956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.003956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.003956 (E_RNA)
where:
Base-Base interactions energy: -226.380
where: short stacking energy: -95.064
Base-Backbone interact. energy: 0.447
local terms energy: -116.071352
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -15.201
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: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -308.946923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.946923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.946923 (E_RNA)
where:
Base-Base interactions energy: -190.083
where: short stacking energy: -106.414
Base-Backbone interact. energy: 0.251
local terms energy: -119.114950
where:
bonds (distance) C4'-P energy: -22.968
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -16.951
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: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -286.455504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.455504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.455504 (E_RNA)
where:
Base-Base interactions energy: -190.535
where: short stacking energy: -82.958
Base-Backbone interact. energy: -0.170
local terms energy: -95.750422
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -266.806150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.806150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.806150 (E_RNA)
where:
Base-Base interactions energy: -162.060
where: short stacking energy: -74.704
Base-Backbone interact. energy: -0.206
local terms energy: -104.541028
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -278.650956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.650956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.650956 (E_RNA)
where:
Base-Base interactions energy: -178.132
where: short stacking energy: -71.983
Base-Backbone interact. energy: -0.976
local terms energy: -99.543259
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -24.265
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -238.929400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.929400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.929400 (E_RNA)
where:
Base-Base interactions energy: -148.028
where: short stacking energy: -75.377
Base-Backbone interact. energy: 0.084
local terms energy: -90.985687
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -113.012881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.012881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.012881 (E_RNA)
where:
Base-Base interactions energy: -45.747
where: short stacking energy: -43.221
Base-Backbone interact. energy: 0.402
local terms energy: -67.667171
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -173.845388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.845388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.845388 (E_RNA)
where:
Base-Base interactions energy: -97.313
where: short stacking energy: -37.163
Base-Backbone interact. energy: -0.078
local terms energy: -76.454086
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -1.787
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: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -376.213941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.213941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.213941 (E_RNA)
where:
Base-Base interactions energy: -249.551
where: short stacking energy: -105.265
Base-Backbone interact. energy: -1.035
local terms energy: -125.627355
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -33.623
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: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -370.835364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.835364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.835364 (E_RNA)
where:
Base-Base interactions energy: -238.206
where: short stacking energy: -118.740
Base-Backbone interact. energy: -0.117
local terms energy: -132.512961
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -29.428
flat angles C4'-P-C4' energy: -27.207
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -37.104
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: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -349.706565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.706565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.706565 (E_RNA)
where:
Base-Base interactions energy: -227.712
where: short stacking energy: -101.209
Base-Backbone interact. energy: -0.993
local terms energy: -121.001756
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -28.023
flat angles P-C4'-P energy: -18.999
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: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -301.074865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.074865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.074865 (E_RNA)
where:
Base-Base interactions energy: -193.722
where: short stacking energy: -84.863
Base-Backbone interact. energy: -0.081
local terms energy: -107.272393
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -274.543430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.543430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.543430 (E_RNA)
where:
Base-Base interactions energy: -178.448
where: short stacking energy: -91.064
Base-Backbone interact. energy: 5.429
local terms energy: -101.524119
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -7.174
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: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -273.951972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.951972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.951972 (E_RNA)
where:
Base-Base interactions energy: -177.757
where: short stacking energy: -85.952
Base-Backbone interact. energy: -0.176
local terms energy: -96.018234
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -27.303
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -23.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -239.330526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.330526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.330526 (E_RNA)
where:
Base-Base interactions energy: -145.676
where: short stacking energy: -69.899
Base-Backbone interact. energy: -0.300
local terms energy: -93.354896
where:
bonds (distance) C4'-P energy: -23.995
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -13.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -237.921650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.921650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.921650 (E_RNA)
where:
Base-Base interactions energy: -138.117
where: short stacking energy: -59.701
Base-Backbone interact. energy: -0.515
local terms energy: -99.289550
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -10.923
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: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -111.961928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.961928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.961928 (E_RNA)
where:
Base-Base interactions energy: -32.938
where: short stacking energy: -30.950
Base-Backbone interact. energy: 0.487
local terms energy: -79.510579
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -9.990
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: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -189.880169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.880169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.880169 (E_RNA)
where:
Base-Base interactions energy: -107.065
where: short stacking energy: -45.651
Base-Backbone interact. energy: -0.386
local terms energy: -82.428707
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -386.155297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.155297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.155297 (E_RNA)
where:
Base-Base interactions energy: -255.974
where: short stacking energy: -116.287
Base-Backbone interact. energy: 0.867
local terms energy: -131.048139
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -37.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -365.398077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.398077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.398077 (E_RNA)
where:
Base-Base interactions energy: -242.581
where: short stacking energy: -116.628
Base-Backbone interact. energy: -0.081
local terms energy: -122.735737
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -18.714
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: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -334.502504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.502504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.502504 (E_RNA)
where:
Base-Base interactions energy: -224.455
where: short stacking energy: -90.785
Base-Backbone interact. energy: -0.223
local terms energy: -109.824023
where:
bonds (distance) C4'-P energy: -25.354
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -291.094245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.094245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.094245 (E_RNA)
where:
Base-Base interactions energy: -195.032
where: short stacking energy: -101.452
Base-Backbone interact. energy: -0.067
local terms energy: -95.995182
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -265.309127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.309127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.309127 (E_RNA)
where:
Base-Base interactions energy: -161.971
where: short stacking energy: -73.296
Base-Backbone interact. energy: -0.024
local terms energy: -103.314204
where:
bonds (distance) C4'-P energy: -24.921
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -23.256
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: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -267.820816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.820816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.820816 (E_RNA)
where:
Base-Base interactions energy: -173.100
where: short stacking energy: -70.755
Base-Backbone interact. energy: -0.170
local terms energy: -94.551127
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -272.410072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.410072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.410072 (E_RNA)
where:
Base-Base interactions energy: -172.444
where: short stacking energy: -78.705
Base-Backbone interact. energy: -0.394
local terms energy: -99.571693
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -211.111711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.111711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.111711 (E_RNA)
where:
Base-Base interactions energy: -124.087
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.512
local terms energy: -86.512657
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -177.880545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.880545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.880545 (E_RNA)
where:
Base-Base interactions energy: -106.480
where: short stacking energy: -46.350
Base-Backbone interact. energy: 0.622
local terms energy: -72.022533
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -110.118177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.118177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.118177 (E_RNA)
where:
Base-Base interactions energy: -39.600
where: short stacking energy: -37.829
Base-Backbone interact. energy: -0.335
local terms energy: -70.183343
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -389.700138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.700138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.700138 (E_RNA)
where:
Base-Base interactions energy: -257.029
where: short stacking energy: -119.334
Base-Backbone interact. energy: -0.626
local terms energy: -132.044864
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -39.020
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: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -363.091952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.091952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.091952 (E_RNA)
where:
Base-Base interactions energy: -237.506
where: short stacking energy: -118.834
Base-Backbone interact. energy: -0.023
local terms energy: -125.563216
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -27.772
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -38.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -345.756323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.756323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.756323 (E_RNA)
where:
Base-Base interactions energy: -229.445
where: short stacking energy: -98.390
Base-Backbone interact. energy: -0.494
local terms energy: -115.817723
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -33.815
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: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -291.981304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.981304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.981304 (E_RNA)
where:
Base-Base interactions energy: -175.010
where: short stacking energy: -83.190
Base-Backbone interact. energy: -0.407
local terms energy: -116.564271
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -26.999
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -294.023463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.023463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.023463 (E_RNA)
where:
Base-Base interactions energy: -188.120
where: short stacking energy: -83.393
Base-Backbone interact. energy: -0.816
local terms energy: -105.088025
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -13.459
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: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -282.960705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.960705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.960705 (E_RNA)
where:
Base-Base interactions energy: -173.059
where: short stacking energy: -77.659
Base-Backbone interact. energy: -0.010
local terms energy: -109.892237
where:
bonds (distance) C4'-P energy: -25.640
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -22.410
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -22.632
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -270.701185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.701185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.701185 (E_RNA)
where:
Base-Base interactions energy: -179.386
where: short stacking energy: -79.836
Base-Backbone interact. energy: -1.296
local terms energy: -90.020009
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -17.936
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: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -212.956983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.956983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.956983 (E_RNA)
where:
Base-Base interactions energy: -123.671
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.972
local terms energy: -88.313781
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -213.309365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.309365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.309365 (E_RNA)
where:
Base-Base interactions energy: -122.205
where: short stacking energy: -51.687
Base-Backbone interact. energy: 0.345
local terms energy: -91.449161
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -108.189108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.189108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.189108 (E_RNA)
where:
Base-Base interactions energy: -31.554
where: short stacking energy: -30.730
Base-Backbone interact. energy: -0.238
local terms energy: -76.397331
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -27.018
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: 0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -383.942783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.942783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.942783 (E_RNA)
where:
Base-Base interactions energy: -264.491
where: short stacking energy: -117.492
Base-Backbone interact. energy: -1.415
local terms energy: -118.036990
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -25.965
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -34.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -362.944290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.944290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.944290 (E_RNA)
where:
Base-Base interactions energy: -244.908
where: short stacking energy: -119.649
Base-Backbone interact. energy: -0.364
local terms energy: -117.672522
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -34.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -337.460106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.460106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.460106 (E_RNA)
where:
Base-Base interactions energy: -224.721
where: short stacking energy: -84.354
Base-Backbone interact. energy: -0.574
local terms energy: -112.165179
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -22.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -312.882589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.882589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.882589 (E_RNA)
where:
Base-Base interactions energy: -198.297
where: short stacking energy: -98.346
Base-Backbone interact. energy: 0.707
local terms energy: -115.293021
where:
bonds (distance) C4'-P energy: -25.057
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -25.087
flat angles P-C4'-P energy: -21.089
tors. eta vs tors. theta energy: -22.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -274.467905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.467905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.467905 (E_RNA)
where:
Base-Base interactions energy: -165.876
where: short stacking energy: -78.982
Base-Backbone interact. energy: -0.159
local terms energy: -108.432853
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -22.051
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: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -285.751264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.751264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.751264 (E_RNA)
where:
Base-Base interactions energy: -181.374
where: short stacking energy: -79.470
Base-Backbone interact. energy: 0.105
local terms energy: -104.482229
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -16.407
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: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -252.366177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.366177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.366177 (E_RNA)
where:
Base-Base interactions energy: -163.648
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.200
local terms energy: -88.518313
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -9.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -275.348262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.348262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.348262 (E_RNA)
where:
Base-Base interactions energy: -185.950
where: short stacking energy: -84.796
Base-Backbone interact. energy: -0.620
local terms energy: -88.778256
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -25.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -211.255629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.255629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.255629 (E_RNA)
where:
Base-Base interactions energy: -135.432
where: short stacking energy: -62.298
Base-Backbone interact. energy: -1.558
local terms energy: -74.265593
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -103.269057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.269057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.269057 (E_RNA)
where:
Base-Base interactions energy: -27.338
where: short stacking energy: -21.708
Base-Backbone interact. energy: -0.975
local terms energy: -74.956156
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: 0.034
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: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -385.116426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.116426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.116426 (E_RNA)
where:
Base-Base interactions energy: -251.686
where: short stacking energy: -115.232
Base-Backbone interact. energy: -0.433
local terms energy: -132.997528
where:
bonds (distance) C4'-P energy: -26.024
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -35.951
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: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -363.997703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.997703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.997703 (E_RNA)
where:
Base-Base interactions energy: -241.757
where: short stacking energy: -122.166
Base-Backbone interact. energy: -0.358
local terms energy: -121.882650
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -35.403
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: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -346.686931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.686931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.686931 (E_RNA)
where:
Base-Base interactions energy: -230.073
where: short stacking energy: -100.854
Base-Backbone interact. energy: -0.096
local terms energy: -116.518233
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -21.642
tors. eta vs tors. theta energy: -32.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -307.964790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.964790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.964790 (E_RNA)
where:
Base-Base interactions energy: -181.622
where: short stacking energy: -89.650
Base-Backbone interact. energy: -0.280
local terms energy: -126.063026
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -26.177
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -31.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -288.529887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.529887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.529887 (E_RNA)
where:
Base-Base interactions energy: -179.431
where: short stacking energy: -82.532
Base-Backbone interact. energy: -0.161
local terms energy: -108.937777
where:
bonds (distance) C4'-P energy: -25.767
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -24.238
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: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -276.651970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.651970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.651970 (E_RNA)
where:
Base-Base interactions energy: -170.646
where: short stacking energy: -86.421
Base-Backbone interact. energy: 0.946
local terms energy: -106.951816
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -247.600860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.600860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.600860 (E_RNA)
where:
Base-Base interactions energy: -158.609
where: short stacking energy: -73.071
Base-Backbone interact. energy: -0.258
local terms energy: -88.733444
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -231.360054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.360054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.360054 (E_RNA)
where:
Base-Base interactions energy: -145.109
where: short stacking energy: -62.081
Base-Backbone interact. energy: 0.578
local terms energy: -86.829257
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -244.517693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.517693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.517693 (E_RNA)
where:
Base-Base interactions energy: -153.902
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.603
local terms energy: -90.013291
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -26.107
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -118.978522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.978522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.978522 (E_RNA)
where:
Base-Base interactions energy: -48.070
where: short stacking energy: -45.959
Base-Backbone interact. energy: 0.494
local terms energy: -71.402349
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -384.803682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.803682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.803682 (E_RNA)
where:
Base-Base interactions energy: -254.635
where: short stacking energy: -109.807
Base-Backbone interact. energy: -0.855
local terms energy: -129.313497
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -32.733
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: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -374.061937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.061937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.061937 (E_RNA)
where:
Base-Base interactions energy: -243.251
where: short stacking energy: -120.654
Base-Backbone interact. energy: -0.616
local terms energy: -130.195486
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -28.495
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -35.831
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: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -339.538176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.538176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.538176 (E_RNA)
where:
Base-Base interactions energy: -219.979
where: short stacking energy: -93.405
Base-Backbone interact. energy: -0.138
local terms energy: -119.420868
where:
bonds (distance) C4'-P energy: -23.171
bonds (distance) P-C4' energy: -24.886
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -29.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -311.076914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.076914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.076914 (E_RNA)
where:
Base-Base interactions energy: -195.760
where: short stacking energy: -95.120
Base-Backbone interact. energy: -1.110
local terms energy: -114.206248
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -27.292
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -24.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -290.954867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.954867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.954867 (E_RNA)
where:
Base-Base interactions energy: -186.430
where: short stacking energy: -90.762
Base-Backbone interact. energy: 3.982
local terms energy: -108.507236
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -24.159
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: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -265.784074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.784074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.784074 (E_RNA)
where:
Base-Base interactions energy: -162.582
where: short stacking energy: -74.370
Base-Backbone interact. energy: -0.108
local terms energy: -103.094168
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -18.958
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: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -255.397392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.397392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.397392 (E_RNA)
where:
Base-Base interactions energy: -149.244
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.098
local terms energy: -106.054982
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -228.477620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.477620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.477620 (E_RNA)
where:
Base-Base interactions energy: -146.303
where: short stacking energy: -70.158
Base-Backbone interact. energy: -0.461
local terms energy: -81.713846
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -253.879898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.879898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.879898 (E_RNA)
where:
Base-Base interactions energy: -161.380
where: short stacking energy: -76.924
Base-Backbone interact. energy: -0.071
local terms energy: -92.428938
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -112.872552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.872552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.872552 (E_RNA)
where:
Base-Base interactions energy: -42.899
where: short stacking energy: -21.030
Base-Backbone interact. energy: -0.806
local terms energy: -69.167484
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: 2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -377.239198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.239198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.239198 (E_RNA)
where:
Base-Base interactions energy: -254.764
where: short stacking energy: -97.048
Base-Backbone interact. energy: -0.895
local terms energy: -121.580040
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -32.458
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: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -371.732284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.732284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.732284 (E_RNA)
where:
Base-Base interactions energy: -241.668
where: short stacking energy: -118.011
Base-Backbone interact. energy: -0.179
local terms energy: -129.885413
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -24.949
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -38.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -342.515166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.515166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.515166 (E_RNA)
where:
Base-Base interactions energy: -222.817
where: short stacking energy: -99.593
Base-Backbone interact. energy: -0.108
local terms energy: -119.590406
where:
bonds (distance) C4'-P energy: -24.769
bonds (distance) P-C4' energy: -25.174
flat angles C4'-P-C4' energy: -28.962
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -25.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -297.132987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.132987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.132987 (E_RNA)
where:
Base-Base interactions energy: -184.070
where: short stacking energy: -83.373
Base-Backbone interact. energy: -0.911
local terms energy: -112.151305
where:
bonds (distance) C4'-P energy: -27.125
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -18.688
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: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -301.043125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.043125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.043125 (E_RNA)
where:
Base-Base interactions energy: -194.919
where: short stacking energy: -89.506
Base-Backbone interact. energy: -0.429
local terms energy: -105.695202
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -24.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -292.514342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.514342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.514342 (E_RNA)
where:
Base-Base interactions energy: -177.699
where: short stacking energy: -83.753
Base-Backbone interact. energy: -1.413
local terms energy: -113.402284
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: -23.592
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: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -286.772974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.772974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.772974 (E_RNA)
where:
Base-Base interactions energy: -180.485
where: short stacking energy: -96.230
Base-Backbone interact. energy: -0.008
local terms energy: -106.279493
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -26.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -258.673354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.673354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.673354 (E_RNA)
where:
Base-Base interactions energy: -159.738
where: short stacking energy: -66.400
Base-Backbone interact. energy: -0.505
local terms energy: -98.430518
where:
bonds (distance) C4'-P energy: -26.342
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -212.054233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.054233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.054233 (E_RNA)
where:
Base-Base interactions energy: -145.742
where: short stacking energy: -63.628
Base-Backbone interact. energy: -0.373
local terms energy: -65.939410
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -7.028
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -6.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -115.038401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.038401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.038401 (E_RNA)
where:
Base-Base interactions energy: -37.986
where: short stacking energy: -35.452
Base-Backbone interact. energy: -1.630
local terms energy: -75.422056
where:
bonds (distance) C4'-P energy: -25.241
bonds (distance) P-C4' energy: -27.630
flat angles C4'-P-C4' energy: -8.377
flat angles P-C4'-P energy: -13.962
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: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -375.854194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.854194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.854194 (E_RNA)
where:
Base-Base interactions energy: -248.897
where: short stacking energy: -102.428
Base-Backbone interact. energy: -1.631
local terms energy: -125.326438
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -34.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -358.124101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.124101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.124101 (E_RNA)
where:
Base-Base interactions energy: -229.429
where: short stacking energy: -112.987
Base-Backbone interact. energy: -2.219
local terms energy: -126.476271
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -26.209
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -32.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -349.871646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.871646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.871646 (E_RNA)
where:
Base-Base interactions energy: -228.037
where: short stacking energy: -101.821
Base-Backbone interact. energy: 0.208
local terms energy: -122.043152
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -28.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -289.375098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.375098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.375098 (E_RNA)
where:
Base-Base interactions energy: -185.798
where: short stacking energy: -81.444
Base-Backbone interact. energy: -0.405
local terms energy: -103.171414
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -297.588013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.588013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.588013 (E_RNA)
where:
Base-Base interactions energy: -189.762
where: short stacking energy: -76.806
Base-Backbone interact. energy: -0.448
local terms energy: -107.377783
where:
bonds (distance) C4'-P energy: -23.823
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -14.594
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: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -274.120130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.120130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.120130 (E_RNA)
where:
Base-Base interactions energy: -170.261
where: short stacking energy: -75.960
Base-Backbone interact. energy: -1.719
local terms energy: -102.140465
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -24.337
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -263.016340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.016340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.016340 (E_RNA)
where:
Base-Base interactions energy: -166.815
where: short stacking energy: -78.443
Base-Backbone interact. energy: 1.105
local terms energy: -97.306813
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -253.838627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.838627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.838627 (E_RNA)
where:
Base-Base interactions energy: -170.572
where: short stacking energy: -78.977
Base-Backbone interact. energy: -0.539
local terms energy: -82.727110
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -217.569730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.569730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.569730 (E_RNA)
where:
Base-Base interactions energy: -130.585
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.152
local terms energy: -86.832861
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -28.040
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -131.636698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.636698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.636698 (E_RNA)
where:
Base-Base interactions energy: -64.794
where: short stacking energy: -32.244
Base-Backbone interact. energy: -0.265
local terms energy: -66.577929
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: 0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -386.735964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.735964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.735964 (E_RNA)
where:
Base-Base interactions energy: -262.157
where: short stacking energy: -106.985
Base-Backbone interact. energy: -1.165
local terms energy: -123.413780
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -33.009
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: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -367.834071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.834071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.834071 (E_RNA)
where:
Base-Base interactions energy: -244.643
where: short stacking energy: -101.027
Base-Backbone interact. energy: -0.706
local terms energy: -122.485228
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -26.363
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -29.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -352.695332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.695332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.695332 (E_RNA)
where:
Base-Base interactions energy: -230.968
where: short stacking energy: -111.723
Base-Backbone interact. energy: -0.708
local terms energy: -121.019723
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -30.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -305.015175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.015175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.015175 (E_RNA)
where:
Base-Base interactions energy: -184.744
where: short stacking energy: -86.587
Base-Backbone interact. energy: -1.200
local terms energy: -119.070819
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -277.057933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.057933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.057933 (E_RNA)
where:
Base-Base interactions energy: -167.428
where: short stacking energy: -77.190
Base-Backbone interact. energy: -0.235
local terms energy: -109.395192
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -258.896665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.896665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.896665 (E_RNA)
where:
Base-Base interactions energy: -161.994
where: short stacking energy: -80.502
Base-Backbone interact. energy: -0.405
local terms energy: -96.497713
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -247.321276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.321276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.321276 (E_RNA)
where:
Base-Base interactions energy: -146.922
where: short stacking energy: -63.533
Base-Backbone interact. energy: -0.606
local terms energy: -99.792909
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -25.801
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -255.474240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.474240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.474240 (E_RNA)
where:
Base-Base interactions energy: -161.421
where: short stacking energy: -75.744
Base-Backbone interact. energy: -1.581
local terms energy: -92.472452
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -22.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -217.397846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.397846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.397846 (E_RNA)
where:
Base-Base interactions energy: -128.262
where: short stacking energy: -55.529
Base-Backbone interact. energy: -0.106
local terms energy: -89.029473
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -27.123
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -116.666844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.666844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.666844 (E_RNA)
where:
Base-Base interactions energy: -35.182
where: short stacking energy: -30.011
Base-Backbone interact. energy: -1.499
local terms energy: -79.986784
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -369.980890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.980890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.980890 (E_RNA)
where:
Base-Base interactions energy: -252.655
where: short stacking energy: -101.639
Base-Backbone interact. energy: -0.301
local terms energy: -117.024811
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -30.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -364.040695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.040695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.040695 (E_RNA)
where:
Base-Base interactions energy: -243.155
where: short stacking energy: -104.336
Base-Backbone interact. energy: -1.064
local terms energy: -119.821666
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -32.899
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: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -366.688373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.688373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.688373 (E_RNA)
where:
Base-Base interactions energy: -240.403
where: short stacking energy: -112.638
Base-Backbone interact. energy: 0.936
local terms energy: -127.221294
where:
bonds (distance) C4'-P energy: -24.603
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -36.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -298.830017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.830017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.830017 (E_RNA)
where:
Base-Base interactions energy: -191.157
where: short stacking energy: -86.332
Base-Backbone interact. energy: -0.748
local terms energy: -106.924841
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -30.886
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -291.385095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.385095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.385095 (E_RNA)
where:
Base-Base interactions energy: -186.850
where: short stacking energy: -84.972
Base-Backbone interact. energy: 0.561
local terms energy: -105.096116
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -22.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -255.380195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.380195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.380195 (E_RNA)
where:
Base-Base interactions energy: -154.735
where: short stacking energy: -68.171
Base-Backbone interact. energy: -2.090
local terms energy: -98.555009
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -12.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -272.601865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.601865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.601865 (E_RNA)
where:
Base-Base interactions energy: -168.545
where: short stacking energy: -72.201
Base-Backbone interact. energy: 0.077
local terms energy: -104.134528
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -14.734
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: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -256.070784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.070784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.070784 (E_RNA)
where:
Base-Base interactions energy: -161.475
where: short stacking energy: -68.061
Base-Backbone interact. energy: -0.061
local terms energy: -94.534841
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -213.792592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.792592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.792592 (E_RNA)
where:
Base-Base interactions energy: -129.128
where: short stacking energy: -61.261
Base-Backbone interact. energy: 0.660
local terms energy: -85.324504
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -116.372813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.372813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.372813 (E_RNA)
where:
Base-Base interactions energy: -41.983
where: short stacking energy: -34.863
Base-Backbone interact. energy: -1.166
local terms energy: -73.224056
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -362.351060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.351060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.351060 (E_RNA)
where:
Base-Base interactions energy: -239.600
where: short stacking energy: -110.599
Base-Backbone interact. energy: -0.228
local terms energy: -122.522923
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -30.777
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: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -357.308719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.308719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.308719 (E_RNA)
where:
Base-Base interactions energy: -226.797
where: short stacking energy: -109.688
Base-Backbone interact. energy: -0.094
local terms energy: -130.417160
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -20.026
tors. eta vs tors. theta energy: -32.192
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: 277
Temperature: 1.000000
Total energy: -361.330925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.330925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.330925 (E_RNA)
where:
Base-Base interactions energy: -246.914
where: short stacking energy: -102.075
Base-Backbone interact. energy: -0.985
local terms energy: -113.431931
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -30.690
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: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -311.644964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.644964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.644964 (E_RNA)
where:
Base-Base interactions energy: -197.290
where: short stacking energy: -90.996
Base-Backbone interact. energy: 0.193
local terms energy: -114.548111
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -290.086738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.086738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.086738 (E_RNA)
where:
Base-Base interactions energy: -195.101
where: short stacking energy: -91.182
Base-Backbone interact. energy: -1.693
local terms energy: -93.292574
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -26.958
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -249.996061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.996061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.996061 (E_RNA)
where:
Base-Base interactions energy: -151.330
where: short stacking energy: -77.807
Base-Backbone interact. energy: 0.526
local terms energy: -99.192294
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -261.122222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.122222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.122222 (E_RNA)
where:
Base-Base interactions energy: -157.685
where: short stacking energy: -83.323
Base-Backbone interact. energy: -0.562
local terms energy: -102.875209
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -24.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -264.165006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.165006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.165006 (E_RNA)
where:
Base-Base interactions energy: -178.063
where: short stacking energy: -80.464
Base-Backbone interact. energy: -0.833
local terms energy: -85.268193
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -14.698
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: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -251.246805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.246805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.246805 (E_RNA)
where:
Base-Base interactions energy: -169.119
where: short stacking energy: -82.796
Base-Backbone interact. energy: -0.467
local terms energy: -81.660946
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -26.658
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -118.822153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.822153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.822153 (E_RNA)
where:
Base-Base interactions energy: -45.235
where: short stacking energy: -39.462
Base-Backbone interact. energy: 3.920
local terms energy: -77.507465
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -11.943
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: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -378.067935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.067935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.067935 (E_RNA)
where:
Base-Base interactions energy: -243.602
where: short stacking energy: -123.564
Base-Backbone interact. energy: -0.040
local terms energy: -134.426146
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -27.557
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -38.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -368.044781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.044781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.044781 (E_RNA)
where:
Base-Base interactions energy: -247.740
where: short stacking energy: -99.840
Base-Backbone interact. energy: -0.018
local terms energy: -120.287536
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -18.020
tors. eta vs tors. theta energy: -28.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -318.494263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.494263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.494263 (E_RNA)
where:
Base-Base interactions energy: -208.648
where: short stacking energy: -95.088
Base-Backbone interact. energy: -0.220
local terms energy: -109.626286
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -22.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -353.326392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.326392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.326392 (E_RNA)
where:
Base-Base interactions energy: -237.451
where: short stacking energy: -102.724
Base-Backbone interact. energy: -1.629
local terms energy: -114.246130
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -28.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -280.757747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.757747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.757747 (E_RNA)
where:
Base-Base interactions energy: -182.901
where: short stacking energy: -85.080
Base-Backbone interact. energy: -0.240
local terms energy: -97.616905
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -17.728
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: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -267.659398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.659398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.659398 (E_RNA)
where:
Base-Base interactions energy: -165.981
where: short stacking energy: -80.374
Base-Backbone interact. energy: -0.245
local terms energy: -101.433745
where:
bonds (distance) C4'-P energy: -24.413
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -18.452
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: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -284.767958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.767958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.767958 (E_RNA)
where:
Base-Base interactions energy: -185.924
where: short stacking energy: -90.850
Base-Backbone interact. energy: -0.141
local terms energy: -98.703537
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -24.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -270.365257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.365257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.365257 (E_RNA)
where:
Base-Base interactions energy: -173.165
where: short stacking energy: -75.222
Base-Backbone interact. energy: -0.231
local terms energy: -96.968492
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -231.779911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.779911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.779911 (E_RNA)
where:
Base-Base interactions energy: -136.096
where: short stacking energy: -61.593
Base-Backbone interact. energy: 0.371
local terms energy: -96.054992
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -26.545
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -123.750101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.750101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.750101 (E_RNA)
where:
Base-Base interactions energy: -50.700
where: short stacking energy: -48.002
Base-Backbone interact. energy: 0.443
local terms energy: -73.493231
where:
bonds (distance) C4'-P energy: -22.989
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -382.353382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.353382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.353382 (E_RNA)
where:
Base-Base interactions energy: -242.884
where: short stacking energy: -121.494
Base-Backbone interact. energy: -0.397
local terms energy: -139.072294
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -36.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -332.699697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.699697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.699697 (E_RNA)
where:
Base-Base interactions energy: -209.051
where: short stacking energy: -102.358
Base-Backbone interact. energy: 0.314
local terms energy: -123.963094
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -30.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -358.566948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.566948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.566948 (E_RNA)
where:
Base-Base interactions energy: -244.864
where: short stacking energy: -99.442
Base-Backbone interact. energy: -0.119
local terms energy: -113.584423
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -27.563
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -26.104
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: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -296.068825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.068825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.068825 (E_RNA)
where:
Base-Base interactions energy: -187.167
where: short stacking energy: -88.000
Base-Backbone interact. energy: -0.159
local terms energy: -108.742759
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -20.426
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: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -310.226092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.226092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.226092 (E_RNA)
where:
Base-Base interactions energy: -205.366
where: short stacking energy: -84.539
Base-Backbone interact. energy: -0.091
local terms energy: -104.769070
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -26.881
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -265.915729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.915729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.915729 (E_RNA)
where:
Base-Base interactions energy: -166.890
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.564
local terms energy: -98.462361
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -273.545959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.545959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.545959 (E_RNA)
where:
Base-Base interactions energy: -172.223
where: short stacking energy: -74.978
Base-Backbone interact. energy: -0.394
local terms energy: -100.928821
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -246.777206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.777206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.777206 (E_RNA)
where:
Base-Base interactions energy: -152.815
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.137
local terms energy: -93.825094
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -250.633161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.633161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.633161 (E_RNA)
where:
Base-Base interactions energy: -159.334
where: short stacking energy: -63.226
Base-Backbone interact. energy: 0.034
local terms energy: -91.333013
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -124.909897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.909897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.909897 (E_RNA)
where:
Base-Base interactions energy: -54.956
where: short stacking energy: -40.662
Base-Backbone interact. energy: 1.518
local terms energy: -71.471343
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -374.241295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.241295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.241295 (E_RNA)
where:
Base-Base interactions energy: -237.463
where: short stacking energy: -115.576
Base-Backbone interact. energy: -1.098
local terms energy: -135.680038
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -24.994
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -34.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -335.728282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.728282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.728282 (E_RNA)
where:
Base-Base interactions energy: -219.082
where: short stacking energy: -100.669
Base-Backbone interact. energy: -0.110
local terms energy: -116.536181
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -18.477
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: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -356.774463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.774463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.774463 (E_RNA)
where:
Base-Base interactions energy: -232.690
where: short stacking energy: -96.672
Base-Backbone interact. energy: -2.079
local terms energy: -122.005760
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -32.368
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: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -308.331761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.331761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.331761 (E_RNA)
where:
Base-Base interactions energy: -193.617
where: short stacking energy: -96.570
Base-Backbone interact. energy: -0.134
local terms energy: -114.580375
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -25.788
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -25.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -298.964374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.964374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.964374 (E_RNA)
where:
Base-Base interactions energy: -189.400
where: short stacking energy: -83.366
Base-Backbone interact. energy: -0.847
local terms energy: -108.717336
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -26.196
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -15.796
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -274.000556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.000556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.000556 (E_RNA)
where:
Base-Base interactions energy: -169.558
where: short stacking energy: -85.274
Base-Backbone interact. energy: -0.128
local terms energy: -104.314586
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -269.002587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.002587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.002587 (E_RNA)
where:
Base-Base interactions energy: -178.758
where: short stacking energy: -79.993
Base-Backbone interact. energy: -0.026
local terms energy: -90.218017
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -266.565518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.565518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.565518 (E_RNA)
where:
Base-Base interactions energy: -174.380
where: short stacking energy: -75.154
Base-Backbone interact. energy: -0.086
local terms energy: -92.099473
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -252.344880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.344880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.344880 (E_RNA)
where:
Base-Base interactions energy: -158.661
where: short stacking energy: -73.408
Base-Backbone interact. energy: 0.600
local terms energy: -94.284285
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -15.609
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: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -121.619325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.619325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.619325 (E_RNA)
where:
Base-Base interactions energy: -45.634
where: short stacking energy: -31.500
Base-Backbone interact. energy: -0.733
local terms energy: -75.252764
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -374.155655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.155655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.155655 (E_RNA)
where:
Base-Base interactions energy: -242.022
where: short stacking energy: -110.144
Base-Backbone interact. energy: -0.040
local terms energy: -132.093960
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -36.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -335.862107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.862107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.862107 (E_RNA)
where:
Base-Base interactions energy: -214.431
where: short stacking energy: -98.011
Base-Backbone interact. energy: -0.053
local terms energy: -121.378093
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -28.885
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -19.727
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: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -356.107452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.107452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.107452 (E_RNA)
where:
Base-Base interactions energy: -237.830
where: short stacking energy: -103.760
Base-Backbone interact. energy: -0.320
local terms energy: -117.957622
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -17.001
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: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -286.985416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.985416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.985416 (E_RNA)
where:
Base-Base interactions energy: -182.835
where: short stacking energy: -79.547
Base-Backbone interact. energy: 1.044
local terms energy: -105.194807
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -290.885156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.885156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.885156 (E_RNA)
where:
Base-Base interactions energy: -177.844
where: short stacking energy: -83.474
Base-Backbone interact. energy: -0.102
local terms energy: -112.938678
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -25.906
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -288.245136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.245136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.245136 (E_RNA)
where:
Base-Base interactions energy: -184.869
where: short stacking energy: -80.388
Base-Backbone interact. energy: -0.143
local terms energy: -103.233787
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -24.093
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -14.947
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: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -259.020481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.020481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.020481 (E_RNA)
where:
Base-Base interactions energy: -151.243
where: short stacking energy: -62.250
Base-Backbone interact. energy: -0.265
local terms energy: -107.512508
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -261.150604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.150604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.150604 (E_RNA)
where:
Base-Base interactions energy: -170.683
where: short stacking energy: -78.708
Base-Backbone interact. energy: -0.503
local terms energy: -89.964636
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -239.349917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.349917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.349917 (E_RNA)
where:
Base-Base interactions energy: -155.459
where: short stacking energy: -67.685
Base-Backbone interact. energy: -0.419
local terms energy: -83.471832
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -8.403
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: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -113.567605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.567605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.567605 (E_RNA)
where:
Base-Base interactions energy: -35.322
where: short stacking energy: -32.219
Base-Backbone interact. energy: 0.542
local terms energy: -78.788179
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -326.438618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.438618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.438618 (E_RNA)
where:
Base-Base interactions energy: -206.731
where: short stacking energy: -89.909
Base-Backbone interact. energy: -0.384
local terms energy: -119.323355
where:
bonds (distance) C4'-P energy: -24.786
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -26.838
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -27.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -348.409120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.409120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.409120 (E_RNA)
where:
Base-Base interactions energy: -217.630
where: short stacking energy: -101.602
Base-Backbone interact. energy: -0.338
local terms energy: -130.441313
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -30.192
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -31.056
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: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -374.227298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.227298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.227298 (E_RNA)
where:
Base-Base interactions energy: -244.728
where: short stacking energy: -108.237
Base-Backbone interact. energy: -1.801
local terms energy: -127.698202
where:
bonds (distance) C4'-P energy: -23.417
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -32.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -288.332373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.332373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.332373 (E_RNA)
where:
Base-Base interactions energy: -181.916
where: short stacking energy: -86.901
Base-Backbone interact. energy: -0.321
local terms energy: -106.095637
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -19.343
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: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -314.620045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.620045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.620045 (E_RNA)
where:
Base-Base interactions energy: -205.857
where: short stacking energy: -94.644
Base-Backbone interact. energy: -1.374
local terms energy: -107.389565
where:
bonds (distance) C4'-P energy: -24.980
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -277.910751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.910751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.910751 (E_RNA)
where:
Base-Base interactions energy: -166.702
where: short stacking energy: -77.416
Base-Backbone interact. energy: -1.473
local terms energy: -109.735656
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -19.668
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: 282
Temperature: 1.200000
Total energy: -254.690088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.690088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.690088 (E_RNA)
where:
Base-Base interactions energy: -162.729
where: short stacking energy: -68.404
Base-Backbone interact. energy: -0.125
local terms energy: -91.835688
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -265.721889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.721889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.721889 (E_RNA)
where:
Base-Base interactions energy: -159.697
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.728
local terms energy: -105.296537
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -200.059257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.059257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.059257 (E_RNA)
where:
Base-Base interactions energy: -118.901
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.915
local terms energy: -80.243170
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -14.299
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: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -107.175825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.175825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.175825 (E_RNA)
where:
Base-Base interactions energy: -30.281
where: short stacking energy: -26.113
Base-Backbone interact. energy: -0.547
local terms energy: -76.347673
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -329.103057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.103057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.103057 (E_RNA)
where:
Base-Base interactions energy: -205.400
where: short stacking energy: -100.850
Base-Backbone interact. energy: -2.043
local terms energy: -121.660131
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: -26.944
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: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -366.945131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.945131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.945131 (E_RNA)
where:
Base-Base interactions energy: -252.121
where: short stacking energy: -108.762
Base-Backbone interact. energy: -0.460
local terms energy: -114.364068
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -36.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -349.476839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.476839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.476839 (E_RNA)
where:
Base-Base interactions energy: -223.324
where: short stacking energy: -109.432
Base-Backbone interact. energy: -0.007
local terms energy: -126.146423
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -15.369
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: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -317.943849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.943849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.943849 (E_RNA)
where:
Base-Base interactions energy: -202.338
where: short stacking energy: -90.457
Base-Backbone interact. energy: -0.189
local terms energy: -115.416760
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -27.136
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -287.683790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.683790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.683790 (E_RNA)
where:
Base-Base interactions energy: -181.854
where: short stacking energy: -69.254
Base-Backbone interact. energy: 0.216
local terms energy: -106.046203
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -27.699
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -293.409273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.409273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.409273 (E_RNA)
where:
Base-Base interactions energy: -198.755
where: short stacking energy: -95.038
Base-Backbone interact. energy: -0.099
local terms energy: -94.555800
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -25.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -263.830992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.830992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.830992 (E_RNA)
where:
Base-Base interactions energy: -171.057
where: short stacking energy: -77.062
Base-Backbone interact. energy: -0.233
local terms energy: -92.541280
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -260.897980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.897980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.897980 (E_RNA)
where:
Base-Base interactions energy: -169.181
where: short stacking energy: -79.977
Base-Backbone interact. energy: -0.378
local terms energy: -91.339004
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -241.721233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.721233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.721233 (E_RNA)
where:
Base-Base interactions energy: -148.114
where: short stacking energy: -61.534
Base-Backbone interact. energy: 3.101
local terms energy: -96.708872
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -118.616329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.616329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.616329 (E_RNA)
where:
Base-Base interactions energy: -52.938
where: short stacking energy: -29.361
Base-Backbone interact. energy: -0.524
local terms energy: -65.154263
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: 1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -372.804221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.804221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.804221 (E_RNA)
where:
Base-Base interactions energy: -253.537
where: short stacking energy: -102.589
Base-Backbone interact. energy: -0.187
local terms energy: -119.080560
where:
bonds (distance) C4'-P energy: -25.209
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -32.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -333.381416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.381416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.381416 (E_RNA)
where:
Base-Base interactions energy: -224.031
where: short stacking energy: -90.537
Base-Backbone interact. energy: -0.343
local terms energy: -109.007823
where:
bonds (distance) C4'-P energy: -25.589
bonds (distance) P-C4' energy: -26.016
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -340.965378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.965378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.965378 (E_RNA)
where:
Base-Base interactions energy: -218.601
where: short stacking energy: -102.945
Base-Backbone interact. energy: -0.143
local terms energy: -122.221975
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -27.434
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -32.253
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: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -299.085817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.085817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.085817 (E_RNA)
where:
Base-Base interactions energy: -189.950
where: short stacking energy: -92.618
Base-Backbone interact. energy: -0.099
local terms energy: -109.035925
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -22.636
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: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -293.760030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.760030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.760030 (E_RNA)
where:
Base-Base interactions energy: -201.795
where: short stacking energy: -94.327
Base-Backbone interact. energy: -1.022
local terms energy: -90.943342
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -272.372767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.372767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.372767 (E_RNA)
where:
Base-Base interactions energy: -160.944
where: short stacking energy: -69.980
Base-Backbone interact. energy: -0.319
local terms energy: -111.109420
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -16.879
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: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -274.512221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.512221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.512221 (E_RNA)
where:
Base-Base interactions energy: -173.406
where: short stacking energy: -71.570
Base-Backbone interact. energy: -0.385
local terms energy: -100.720384
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -16.577
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: 284
Temperature: 1.250000
Total energy: -221.553671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.553671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.553671 (E_RNA)
where:
Base-Base interactions energy: -133.818
where: short stacking energy: -46.174
Base-Backbone interact. energy: -0.297
local terms energy: -87.438337
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -10.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -261.264484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.264484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.264484 (E_RNA)
where:
Base-Base interactions energy: -163.171
where: short stacking energy: -84.982
Base-Backbone interact. energy: 1.057
local terms energy: -99.150994
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -113.948897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.948897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.948897 (E_RNA)
where:
Base-Base interactions energy: -42.641
where: short stacking energy: -37.620
Base-Backbone interact. energy: 0.351
local terms energy: -71.658561
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -12.893
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: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -369.868123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.868123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.868123 (E_RNA)
where:
Base-Base interactions energy: -248.584
where: short stacking energy: -105.240
Base-Backbone interact. energy: -0.707
local terms energy: -120.577577
where:
bonds (distance) C4'-P energy: -25.558
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -31.107
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: 285
Temperature: 0.950000
Total energy: -349.399207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.399207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.399207 (E_RNA)
where:
Base-Base interactions energy: -223.778
where: short stacking energy: -109.517
Base-Backbone interact. energy: -0.019
local terms energy: -125.601796
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -27.659
flat angles P-C4'-P energy: -16.846
tors. eta vs tors. theta energy: -35.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -310.386433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.386433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.386433 (E_RNA)
where:
Base-Base interactions energy: -199.573
where: short stacking energy: -91.212
Base-Backbone interact. energy: -0.565
local terms energy: -110.248493
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -24.844
flat angles C4'-P-C4' energy: -26.592
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -24.255
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: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -308.983443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.983443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.983443 (E_RNA)
where:
Base-Base interactions energy: -206.372
where: short stacking energy: -103.205
Base-Backbone interact. energy: 3.139
local terms energy: -105.750945
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -25.931
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: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -289.622415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.622415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.622415 (E_RNA)
where:
Base-Base interactions energy: -194.196
where: short stacking energy: -83.102
Base-Backbone interact. energy: 1.866
local terms energy: -97.292642
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -19.202
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: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -288.044784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.044784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.044784 (E_RNA)
where:
Base-Base interactions energy: -181.084
where: short stacking energy: -90.624
Base-Backbone interact. energy: 0.100
local terms energy: -107.060827
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -26.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -250.594039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.594039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.594039 (E_RNA)
where:
Base-Base interactions energy: -160.229
where: short stacking energy: -71.441
Base-Backbone interact. energy: -0.406
local terms energy: -89.958397
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -24.673
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -234.980276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.980276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.980276 (E_RNA)
where:
Base-Base interactions energy: -149.745
where: short stacking energy: -65.909
Base-Backbone interact. energy: -0.968
local terms energy: -84.267171
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -214.673376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.673376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.673376 (E_RNA)
where:
Base-Base interactions energy: -131.322
where: short stacking energy: -57.667
Base-Backbone interact. energy: 0.575
local terms energy: -83.926560
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -110.731414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.731414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.731414 (E_RNA)
where:
Base-Base interactions energy: -34.599
where: short stacking energy: -28.597
Base-Backbone interact. energy: -0.540
local terms energy: -75.592972
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -372.553706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.553706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.553706 (E_RNA)
where:
Base-Base interactions energy: -234.976
where: short stacking energy: -105.075
Base-Backbone interact. energy: -0.122
local terms energy: -137.456536
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -29.954
flat angles C4'-P-C4' energy: -30.374
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -33.052
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: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -352.623451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.623451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.623451 (E_RNA)
where:
Base-Base interactions energy: -226.825
where: short stacking energy: -114.077
Base-Backbone interact. energy: -0.045
local terms energy: -125.753051
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -31.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -308.774483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.774483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.774483 (E_RNA)
where:
Base-Base interactions energy: -202.062
where: short stacking energy: -98.114
Base-Backbone interact. energy: 0.496
local terms energy: -107.208764
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -27.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -305.234454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.234454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.234454 (E_RNA)
where:
Base-Base interactions energy: -187.420
where: short stacking energy: -86.257
Base-Backbone interact. energy: -1.695
local terms energy: -116.119388
where:
bonds (distance) C4'-P energy: -24.538
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -25.155
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -22.382
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: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -306.053697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.053697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.053697 (E_RNA)
where:
Base-Base interactions energy: -206.929
where: short stacking energy: -90.908
Base-Backbone interact. energy: -0.292
local terms energy: -98.832884
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -277.882045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.882045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.882045 (E_RNA)
where:
Base-Base interactions energy: -174.017
where: short stacking energy: -70.063
Base-Backbone interact. energy: -0.317
local terms energy: -103.548146
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -22.307
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: 286
Temperature: 1.200000
Total energy: -265.807239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.807239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.807239 (E_RNA)
where:
Base-Base interactions energy: -166.393
where: short stacking energy: -79.202
Base-Backbone interact. energy: -2.294
local terms energy: -97.119833
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -247.454059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.454059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.454059 (E_RNA)
where:
Base-Base interactions energy: -154.491
where: short stacking energy: -63.456
Base-Backbone interact. energy: -0.302
local terms energy: -92.661052
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -14.787
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: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -232.008945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.008945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.008945 (E_RNA)
where:
Base-Base interactions energy: -140.385
where: short stacking energy: -71.984
Base-Backbone interact. energy: -0.359
local terms energy: -91.264814
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -114.917120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.917120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.917120 (E_RNA)
where:
Base-Base interactions energy: -41.957
where: short stacking energy: -40.100
Base-Backbone interact. energy: -0.353
local terms energy: -72.606476
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -26.272
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: 3.334
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: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -372.846687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.846687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.846687 (E_RNA)
where:
Base-Base interactions energy: -243.128
where: short stacking energy: -101.301
Base-Backbone interact. energy: -0.839
local terms energy: -128.879451
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -17.826
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: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -362.722982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.722982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.722982 (E_RNA)
where:
Base-Base interactions energy: -242.104
where: short stacking energy: -123.300
Base-Backbone interact. energy: -0.048
local terms energy: -120.570899
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -38.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -334.409436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.409436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.409436 (E_RNA)
where:
Base-Base interactions energy: -216.635
where: short stacking energy: -89.075
Base-Backbone interact. energy: -1.582
local terms energy: -116.191997
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -25.954
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -25.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -299.590093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.590093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.590093 (E_RNA)
where:
Base-Base interactions energy: -196.863
where: short stacking energy: -88.861
Base-Backbone interact. energy: -0.386
local terms energy: -102.340850
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -301.590697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.590697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.590697 (E_RNA)
where:
Base-Base interactions energy: -186.854
where: short stacking energy: -84.114
Base-Backbone interact. energy: -0.385
local terms energy: -114.351152
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -280.506554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.506554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.506554 (E_RNA)
where:
Base-Base interactions energy: -169.125
where: short stacking energy: -82.558
Base-Backbone interact. energy: -0.481
local terms energy: -110.900929
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -25.367
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: 287
Temperature: 1.200000
Total energy: -247.662429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.662429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.662429 (E_RNA)
where:
Base-Base interactions energy: -149.659
where: short stacking energy: -70.431
Base-Backbone interact. energy: -0.277
local terms energy: -97.726089
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -28.429
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -247.374389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.374389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.374389 (E_RNA)
where:
Base-Base interactions energy: -168.011
where: short stacking energy: -73.182
Base-Backbone interact. energy: -1.009
local terms energy: -78.354361
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -236.011389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.011389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.011389 (E_RNA)
where:
Base-Base interactions energy: -158.285
where: short stacking energy: -70.698
Base-Backbone interact. energy: 1.287
local terms energy: -79.013732
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -11.811
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: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -116.291608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.291608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.291608 (E_RNA)
where:
Base-Base interactions energy: -44.936
where: short stacking energy: -43.336
Base-Backbone interact. energy: -0.117
local terms energy: -71.238165
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -1.921
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: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -373.829269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.829269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.829269 (E_RNA)
where:
Base-Base interactions energy: -254.613
where: short stacking energy: -110.171
Base-Backbone interact. energy: -0.120
local terms energy: -119.096034
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -23.830
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -34.020
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: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -348.068996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.068996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.068996 (E_RNA)
where:
Base-Base interactions energy: -225.956
where: short stacking energy: -109.878
Base-Backbone interact. energy: -0.139
local terms energy: -121.974018
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -25.346
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -18.188
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: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -334.448992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.448992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.448992 (E_RNA)
where:
Base-Base interactions energy: -214.142
where: short stacking energy: -96.732
Base-Backbone interact. energy: -0.365
local terms energy: -119.941312
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -28.721
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -305.720086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.720086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.720086 (E_RNA)
where:
Base-Base interactions energy: -189.571
where: short stacking energy: -83.620
Base-Backbone interact. energy: -0.681
local terms energy: -115.468218
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -28.472
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -293.405744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.405744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.405744 (E_RNA)
where:
Base-Base interactions energy: -175.714
where: short stacking energy: -87.823
Base-Backbone interact. energy: -0.027
local terms energy: -117.664756
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -24.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -269.129135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.129135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.129135 (E_RNA)
where:
Base-Base interactions energy: -172.407
where: short stacking energy: -76.859
Base-Backbone interact. energy: -0.066
local terms energy: -96.656208
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -21.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -257.809840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.809840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.809840 (E_RNA)
where:
Base-Base interactions energy: -168.733
where: short stacking energy: -77.822
Base-Backbone interact. energy: -0.286
local terms energy: -88.790346
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -243.867811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.867811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.867811 (E_RNA)
where:
Base-Base interactions energy: -140.907
where: short stacking energy: -67.279
Base-Backbone interact. energy: -1.576
local terms energy: -101.384975
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -26.515
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -262.062189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.062189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.062189 (E_RNA)
where:
Base-Base interactions energy: -169.595
where: short stacking energy: -68.728
Base-Backbone interact. energy: -0.217
local terms energy: -92.250219
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -17.480
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: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -120.828095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.828095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.828095 (E_RNA)
where:
Base-Base interactions energy: -48.583
where: short stacking energy: -47.498
Base-Backbone interact. energy: -1.913
local terms energy: -70.331887
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -380.102596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.102596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.102596 (E_RNA)
where:
Base-Base interactions energy: -254.363
where: short stacking energy: -103.406
Base-Backbone interact. energy: -0.024
local terms energy: -125.715098
where:
bonds (distance) C4'-P energy: -26.935
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -24.933
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: -33.593
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: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -354.355086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.355086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.355086 (E_RNA)
where:
Base-Base interactions energy: -230.346
where: short stacking energy: -104.757
Base-Backbone interact. energy: -0.450
local terms energy: -123.558947
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -27.467
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -31.088
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: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -317.808106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.808106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.808106 (E_RNA)
where:
Base-Base interactions energy: -207.584
where: short stacking energy: -92.032
Base-Backbone interact. energy: -0.679
local terms energy: -109.544994
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -23.402
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: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -307.578795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.578795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.578795 (E_RNA)
where:
Base-Base interactions energy: -213.348
where: short stacking energy: -79.626
Base-Backbone interact. energy: -1.122
local terms energy: -93.108948
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -20.688
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -17.366
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: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -283.642464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.642464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.642464 (E_RNA)
where:
Base-Base interactions energy: -179.223
where: short stacking energy: -80.937
Base-Backbone interact. energy: -0.363
local terms energy: -104.056779
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -263.981340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.981340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.981340 (E_RNA)
where:
Base-Base interactions energy: -171.289
where: short stacking energy: -79.122
Base-Backbone interact. energy: -0.257
local terms energy: -92.435594
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -270.872415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.872415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.872415 (E_RNA)
where:
Base-Base interactions energy: -174.662
where: short stacking energy: -81.691
Base-Backbone interact. energy: -1.064
local terms energy: -95.145880
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -280.358769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.358769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.358769 (E_RNA)
where:
Base-Base interactions energy: -182.649
where: short stacking energy: -81.299
Base-Backbone interact. energy: -0.874
local terms energy: -96.836634
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -20.793
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -214.888537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.888537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.888537 (E_RNA)
where:
Base-Base interactions energy: -139.594
where: short stacking energy: -64.529
Base-Backbone interact. energy: -0.040
local terms energy: -75.254741
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -11.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -104.633516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.633516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.633516 (E_RNA)
where:
Base-Base interactions energy: -31.248
where: short stacking energy: -29.852
Base-Backbone interact. energy: -0.336
local terms energy: -73.049859
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: 1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -364.808952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.808952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.808952 (E_RNA)
where:
Base-Base interactions energy: -231.561
where: short stacking energy: -119.895
Base-Backbone interact. energy: -0.013
local terms energy: -133.235579
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -26.596
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -36.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -359.654797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.654797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.654797 (E_RNA)
where:
Base-Base interactions energy: -247.610
where: short stacking energy: -103.745
Base-Backbone interact. energy: -0.367
local terms energy: -111.677685
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -29.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -314.814656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.814656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.814656 (E_RNA)
where:
Base-Base interactions energy: -205.202
where: short stacking energy: -83.898
Base-Backbone interact. energy: -0.879
local terms energy: -108.733436
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -25.407
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -317.564654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.564654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.564654 (E_RNA)
where:
Base-Base interactions energy: -206.183
where: short stacking energy: -82.703
Base-Backbone interact. energy: -0.548
local terms energy: -110.833907
where:
bonds (distance) C4'-P energy: -26.024
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -23.739
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: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -284.314536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.314536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.314536 (E_RNA)
where:
Base-Base interactions energy: -185.201
where: short stacking energy: -84.002
Base-Backbone interact. energy: -0.313
local terms energy: -98.799850
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -26.809
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -269.407575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.407575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.407575 (E_RNA)
where:
Base-Base interactions energy: -164.160
where: short stacking energy: -64.001
Base-Backbone interact. energy: -0.760
local terms energy: -104.486793
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -268.121023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.121023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.121023 (E_RNA)
where:
Base-Base interactions energy: -173.166
where: short stacking energy: -80.149
Base-Backbone interact. energy: 3.040
local terms energy: -97.994839
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -251.035622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.035622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.035622 (E_RNA)
where:
Base-Base interactions energy: -152.148
where: short stacking energy: -69.612
Base-Backbone interact. energy: -1.088
local terms energy: -97.799855
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -221.498575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.498575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.498575 (E_RNA)
where:
Base-Base interactions energy: -129.153
where: short stacking energy: -60.755
Base-Backbone interact. energy: -0.132
local terms energy: -92.214117
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -123.302052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.302052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.302052 (E_RNA)
where:
Base-Base interactions energy: -48.037
where: short stacking energy: -36.109
Base-Backbone interact. energy: -0.050
local terms energy: -75.215383
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -7.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -357.044802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.044802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.044802 (E_RNA)
where:
Base-Base interactions energy: -229.819
where: short stacking energy: -108.967
Base-Backbone interact. energy: -0.812
local terms energy: -126.413868
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: -32.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -350.841466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.841466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.841466 (E_RNA)
where:
Base-Base interactions energy: -230.330
where: short stacking energy: -91.716
Base-Backbone interact. energy: -1.351
local terms energy: -119.160916
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -24.394
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -25.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -350.451170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.451170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.451170 (E_RNA)
where:
Base-Base interactions energy: -228.729
where: short stacking energy: -92.656
Base-Backbone interact. energy: -0.208
local terms energy: -121.513285
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -29.506
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: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -303.088411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.088411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.088411 (E_RNA)
where:
Base-Base interactions energy: -201.395
where: short stacking energy: -94.228
Base-Backbone interact. energy: -0.764
local terms energy: -100.929435
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -15.033
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: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -274.508768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.508768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.508768 (E_RNA)
where:
Base-Base interactions energy: -171.730
where: short stacking energy: -70.211
Base-Backbone interact. energy: -0.135
local terms energy: -102.644407
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -266.189042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.189042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.189042 (E_RNA)
where:
Base-Base interactions energy: -157.452
where: short stacking energy: -70.018
Base-Backbone interact. energy: -1.016
local terms energy: -107.721362
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: -16.164
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: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -261.538010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.538010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.538010 (E_RNA)
where:
Base-Base interactions energy: -159.938
where: short stacking energy: -75.128
Base-Backbone interact. energy: -0.183
local terms energy: -101.417704
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -25.991
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -245.125088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.125088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.125088 (E_RNA)
where:
Base-Base interactions energy: -155.292
where: short stacking energy: -66.917
Base-Backbone interact. energy: -1.055
local terms energy: -88.777868
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -237.729979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.729979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.729979 (E_RNA)
where:
Base-Base interactions energy: -158.966
where: short stacking energy: -69.160
Base-Backbone interact. energy: -0.033
local terms energy: -78.731052
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -8.182
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: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -114.486947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.486947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.486947 (E_RNA)
where:
Base-Base interactions energy: -40.452
where: short stacking energy: -30.679
Base-Backbone interact. energy: 0.341
local terms energy: -74.375452
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -0.023
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: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -356.114455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.114455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.114455 (E_RNA)
where:
Base-Base interactions energy: -229.336
where: short stacking energy: -106.008
Base-Backbone interact. energy: -0.016
local terms energy: -126.762524
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -25.419
flat angles C4'-P-C4' energy: -29.673
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -32.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -363.361491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.361491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.361491 (E_RNA)
where:
Base-Base interactions energy: -232.508
where: short stacking energy: -95.693
Base-Backbone interact. energy: 0.474
local terms energy: -131.327059
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -20.066
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: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -347.981875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.981875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.981875 (E_RNA)
where:
Base-Base interactions energy: -226.442
where: short stacking energy: -92.649
Base-Backbone interact. energy: -0.455
local terms energy: -121.084756
where:
bonds (distance) C4'-P energy: -27.643
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -17.051
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: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -286.376410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.376410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.376410 (E_RNA)
where:
Base-Base interactions energy: -187.339
where: short stacking energy: -87.083
Base-Backbone interact. energy: -0.234
local terms energy: -98.803944
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -279.733742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.733742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.733742 (E_RNA)
where:
Base-Base interactions energy: -178.754
where: short stacking energy: -77.266
Base-Backbone interact. energy: -0.813
local terms energy: -100.166716
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -248.026721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.026721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.026721 (E_RNA)
where:
Base-Base interactions energy: -151.322
where: short stacking energy: -72.224
Base-Backbone interact. energy: -0.220
local terms energy: -96.484998
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -241.805741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.805741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.805741 (E_RNA)
where:
Base-Base interactions energy: -147.547
where: short stacking energy: -69.641
Base-Backbone interact. energy: -0.263
local terms energy: -93.995478
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -10.354
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: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -236.830523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.830523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.830523 (E_RNA)
where:
Base-Base interactions energy: -147.100
where: short stacking energy: -65.158
Base-Backbone interact. energy: -0.516
local terms energy: -89.214617
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -214.156515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.156515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.156515 (E_RNA)
where:
Base-Base interactions energy: -126.540
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.248
local terms energy: -87.368242
where:
bonds (distance) C4'-P energy: -23.334
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -8.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -116.475362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.475362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.475362 (E_RNA)
where:
Base-Base interactions energy: -37.367
where: short stacking energy: -35.590
Base-Backbone interact. energy: 1.598
local terms energy: -80.706526
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -361.550929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.550929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.550929 (E_RNA)
where:
Base-Base interactions energy: -236.630
where: short stacking energy: -104.668
Base-Backbone interact. energy: -0.564
local terms energy: -124.356139
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -28.888
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -32.176
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: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -358.681140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.681140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.681140 (E_RNA)
where:
Base-Base interactions energy: -233.992
where: short stacking energy: -94.521
Base-Backbone interact. energy: -1.489
local terms energy: -123.200901
where:
bonds (distance) C4'-P energy: -26.275
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -28.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -348.620073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.620073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.620073 (E_RNA)
where:
Base-Base interactions energy: -236.402
where: short stacking energy: -86.301
Base-Backbone interact. energy: -0.160
local terms energy: -112.058026
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -27.015
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -298.109277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.109277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.109277 (E_RNA)
where:
Base-Base interactions energy: -194.129
where: short stacking energy: -94.892
Base-Backbone interact. energy: -0.269
local terms energy: -103.710996
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -20.817
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: 293
Temperature: 1.100000
Total energy: -283.910202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.910202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.910202 (E_RNA)
where:
Base-Base interactions energy: -185.098
where: short stacking energy: -78.398
Base-Backbone interact. energy: -0.854
local terms energy: -97.958311
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -16.296
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: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -254.188450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.188450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.188450 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -66.956
Base-Backbone interact. energy: -0.242
local terms energy: -101.982471
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -266.385876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.385876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.385876 (E_RNA)
where:
Base-Base interactions energy: -169.036
where: short stacking energy: -75.228
Base-Backbone interact. energy: -0.485
local terms energy: -96.864857
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -26.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -240.786660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.786660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.786660 (E_RNA)
where:
Base-Base interactions energy: -146.908
where: short stacking energy: -75.719
Base-Backbone interact. energy: -0.331
local terms energy: -93.547628
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -194.787484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.787484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.787484 (E_RNA)
where:
Base-Base interactions energy: -118.756
where: short stacking energy: -48.071
Base-Backbone interact. energy: -0.024
local terms energy: -76.007381
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -124.492713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.492713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.492713 (E_RNA)
where:
Base-Base interactions energy: -40.783
where: short stacking energy: -34.553
Base-Backbone interact. energy: 0.655
local terms energy: -84.364001
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -379.019502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.019502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.019502 (E_RNA)
where:
Base-Base interactions energy: -248.186
where: short stacking energy: -97.256
Base-Backbone interact. energy: -1.490
local terms energy: -129.343030
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -29.347
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -20.658
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: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -356.496037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.496037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.496037 (E_RNA)
where:
Base-Base interactions energy: -231.096
where: short stacking energy: -112.709
Base-Backbone interact. energy: -0.105
local terms energy: -125.294520
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -28.315
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -32.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -314.630115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.630115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.630115 (E_RNA)
where:
Base-Base interactions energy: -205.356
where: short stacking energy: -78.606
Base-Backbone interact. energy: -1.350
local terms energy: -107.923897
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -26.945
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -285.850850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.850850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.850850 (E_RNA)
where:
Base-Base interactions energy: -184.924
where: short stacking energy: -76.546
Base-Backbone interact. energy: -0.351
local terms energy: -100.575569
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -21.364
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -269.536868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.536868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.536868 (E_RNA)
where:
Base-Base interactions energy: -161.099
where: short stacking energy: -79.124
Base-Backbone interact. energy: -1.333
local terms energy: -107.105220
where:
bonds (distance) C4'-P energy: -24.517
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -280.755606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.755606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.755606 (E_RNA)
where:
Base-Base interactions energy: -176.071
where: short stacking energy: -69.577
Base-Backbone interact. energy: -0.286
local terms energy: -104.398487
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -25.640
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -16.756
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: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -261.206527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.206527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.206527 (E_RNA)
where:
Base-Base interactions energy: -153.767
where: short stacking energy: -83.182
Base-Backbone interact. energy: -0.170
local terms energy: -107.269327
where:
bonds (distance) C4'-P energy: -24.594
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -22.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -241.783094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.783094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.783094 (E_RNA)
where:
Base-Base interactions energy: -153.031
where: short stacking energy: -60.940
Base-Backbone interact. energy: 0.988
local terms energy: -89.739889
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -133.680327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.680327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.680327 (E_RNA)
where:
Base-Base interactions energy: -57.634
where: short stacking energy: -32.391
Base-Backbone interact. energy: -1.774
local terms energy: -74.271968
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: 2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -192.599021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.599021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.599021 (E_RNA)
where:
Base-Base interactions energy: -126.748
where: short stacking energy: -51.025
Base-Backbone interact. energy: -0.511
local terms energy: -65.340251
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -374.988318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.988318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.988318 (E_RNA)
where:
Base-Base interactions energy: -254.023
where: short stacking energy: -101.847
Base-Backbone interact. energy: -1.781
local terms energy: -119.184354
where:
bonds (distance) C4'-P energy: -25.911
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -31.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -350.802986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.802986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.802986 (E_RNA)
where:
Base-Base interactions energy: -224.777
where: short stacking energy: -112.196
Base-Backbone interact. energy: -0.604
local terms energy: -125.422153
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -33.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -335.174554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.174554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.174554 (E_RNA)
where:
Base-Base interactions energy: -216.404
where: short stacking energy: -94.803
Base-Backbone interact. energy: 0.470
local terms energy: -119.240992
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -307.751854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.751854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.751854 (E_RNA)
where:
Base-Base interactions energy: -201.216
where: short stacking energy: -92.196
Base-Backbone interact. energy: -0.663
local terms energy: -105.873597
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -18.373
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: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -279.458575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.458575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.458575 (E_RNA)
where:
Base-Base interactions energy: -170.588
where: short stacking energy: -84.142
Base-Backbone interact. energy: -1.748
local terms energy: -107.122987
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -21.417
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: 295
Temperature: 1.150000
Total energy: -279.462201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.462201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.462201 (E_RNA)
where:
Base-Base interactions energy: -184.788
where: short stacking energy: -79.831
Base-Backbone interact. energy: -1.589
local terms energy: -93.085780
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -268.715889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.715889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.715889 (E_RNA)
where:
Base-Base interactions energy: -165.416
where: short stacking energy: -84.200
Base-Backbone interact. energy: -0.470
local terms energy: -102.829574
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -233.008481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.008481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.008481 (E_RNA)
where:
Base-Base interactions energy: -142.281
where: short stacking energy: -64.737
Base-Backbone interact. energy: 0.026
local terms energy: -90.754019
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -3.307
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -117.898956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.898956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.898956 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -31.673
Base-Backbone interact. energy: 1.370
local terms energy: -80.988901
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: 0.160
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: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -173.800643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.800643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.800643 (E_RNA)
where:
Base-Base interactions energy: -93.211
where: short stacking energy: -46.090
Base-Backbone interact. energy: 3.168
local terms energy: -83.757425
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -360.766317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.766317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.766317 (E_RNA)
where:
Base-Base interactions energy: -237.826
where: short stacking energy: -107.926
Base-Backbone interact. energy: -0.193
local terms energy: -122.746910
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -36.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -376.932466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.932466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.932466 (E_RNA)
where:
Base-Base interactions energy: -253.393
where: short stacking energy: -104.283
Base-Backbone interact. energy: -1.218
local terms energy: -122.321182
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -25.613
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -26.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -349.433260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.433260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.433260 (E_RNA)
where:
Base-Base interactions energy: -228.569
where: short stacking energy: -105.241
Base-Backbone interact. energy: -0.475
local terms energy: -120.389573
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -26.907
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -30.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -306.866110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.866110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.866110 (E_RNA)
where:
Base-Base interactions energy: -196.036
where: short stacking energy: -101.034
Base-Backbone interact. energy: -0.847
local terms energy: -109.983525
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -25.575
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: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -303.793759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.793759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.793759 (E_RNA)
where:
Base-Base interactions energy: -188.433
where: short stacking energy: -98.392
Base-Backbone interact. energy: -0.116
local terms energy: -115.245549
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -25.944
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -28.654
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: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -279.306165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.306165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.306165 (E_RNA)
where:
Base-Base interactions energy: -174.185
where: short stacking energy: -71.978
Base-Backbone interact. energy: 0.711
local terms energy: -105.832565
where:
bonds (distance) C4'-P energy: -26.325
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -13.568
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: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -267.720982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.720982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.720982 (E_RNA)
where:
Base-Base interactions energy: -166.028
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.498
local terms energy: -101.194487
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -246.208598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.208598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.208598 (E_RNA)
where:
Base-Base interactions energy: -150.109
where: short stacking energy: -67.173
Base-Backbone interact. energy: 1.951
local terms energy: -98.051189
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -153.546789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.546789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.546789 (E_RNA)
where:
Base-Base interactions energy: -81.825
where: short stacking energy: -30.908
Base-Backbone interact. energy: -1.405
local terms energy: -70.317028
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: 3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -109.671429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.671429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.671429 (E_RNA)
where:
Base-Base interactions energy: -43.626
where: short stacking energy: -24.767
Base-Backbone interact. energy: 0.623
local terms energy: -66.667910
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: 2.105
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: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -362.755578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.755578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.755578 (E_RNA)
where:
Base-Base interactions energy: -236.724
where: short stacking energy: -106.274
Base-Backbone interact. energy: -0.917
local terms energy: -125.114226
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -29.235
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -24.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -366.165432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.165432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.165432 (E_RNA)
where:
Base-Base interactions energy: -238.772
where: short stacking energy: -99.333
Base-Backbone interact. energy: -0.643
local terms energy: -126.750571
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -29.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -349.643544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.643544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.643544 (E_RNA)
where:
Base-Base interactions energy: -241.767
where: short stacking energy: -106.097
Base-Backbone interact. energy: -0.480
local terms energy: -107.396521
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -14.305
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: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -284.249958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.249958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.249958 (E_RNA)
where:
Base-Base interactions energy: -185.486
where: short stacking energy: -77.781
Base-Backbone interact. energy: -0.150
local terms energy: -98.614393
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -295.175630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.175630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.175630 (E_RNA)
where:
Base-Base interactions energy: -191.175
where: short stacking energy: -88.313
Base-Backbone interact. energy: -0.295
local terms energy: -103.705252
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -14.455
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: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -267.651736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.651736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.651736 (E_RNA)
where:
Base-Base interactions energy: -167.387
where: short stacking energy: -72.509
Base-Backbone interact. energy: 0.052
local terms energy: -100.316490
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -268.974279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.974279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.974279 (E_RNA)
where:
Base-Base interactions energy: -168.818
where: short stacking energy: -77.754
Base-Backbone interact. energy: -0.252
local terms energy: -99.904592
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -240.768709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.768709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.768709 (E_RNA)
where:
Base-Base interactions energy: -146.658
where: short stacking energy: -73.047
Base-Backbone interact. energy: 0.541
local terms energy: -94.652391
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -21.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -112.863940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.863940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.863940 (E_RNA)
where:
Base-Base interactions energy: -31.951
where: short stacking energy: -26.707
Base-Backbone interact. energy: 1.476
local terms energy: -82.388453
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -127.533124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.533124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.533124 (E_RNA)
where:
Base-Base interactions energy: -51.862
where: short stacking energy: -51.801
Base-Backbone interact. energy: -0.133
local terms energy: -75.538148
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -371.737000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.737000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.737000 (E_RNA)
where:
Base-Base interactions energy: -254.003
where: short stacking energy: -116.889
Base-Backbone interact. energy: -0.223
local terms energy: -117.510781
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -29.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -358.531591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.531591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.531591 (E_RNA)
where:
Base-Base interactions energy: -235.895
where: short stacking energy: -123.496
Base-Backbone interact. energy: -0.422
local terms energy: -122.214373
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -17.322
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: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -355.709896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.709896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.709896 (E_RNA)
where:
Base-Base interactions energy: -240.159
where: short stacking energy: -102.847
Base-Backbone interact. energy: -1.043
local terms energy: -114.507451
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -24.576
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -33.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -292.024787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.024787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.024787 (E_RNA)
where:
Base-Base interactions energy: -186.357
where: short stacking energy: -84.258
Base-Backbone interact. energy: -1.040
local terms energy: -104.627933
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -304.510825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.510825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.510825 (E_RNA)
where:
Base-Base interactions energy: -202.592
where: short stacking energy: -104.348
Base-Backbone interact. energy: -0.115
local terms energy: -101.803810
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -30.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -270.433241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.433241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.433241 (E_RNA)
where:
Base-Base interactions energy: -183.782
where: short stacking energy: -76.249
Base-Backbone interact. energy: 1.648
local terms energy: -88.300036
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -249.702061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.702061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.702061 (E_RNA)
where:
Base-Base interactions energy: -151.724
where: short stacking energy: -66.017
Base-Backbone interact. energy: -0.244
local terms energy: -97.734076
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -27.882
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -267.514175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.514175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.514175 (E_RNA)
where:
Base-Base interactions energy: -176.484
where: short stacking energy: -72.201
Base-Backbone interact. energy: -0.376
local terms energy: -90.654660
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -136.333978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.333978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.333978 (E_RNA)
where:
Base-Base interactions energy: -57.220
where: short stacking energy: -39.140
Base-Backbone interact. energy: -0.247
local terms energy: -78.867798
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -1.100
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: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -107.563151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.563151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.563151 (E_RNA)
where:
Base-Base interactions energy: -40.255
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.513
local terms energy: -66.795331
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -362.767814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.767814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.767814 (E_RNA)
where:
Base-Base interactions energy: -242.703
where: short stacking energy: -93.501
Base-Backbone interact. energy: -0.377
local terms energy: -119.688413
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -28.050
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -25.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -366.486947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.486947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.486947 (E_RNA)
where:
Base-Base interactions energy: -240.493
where: short stacking energy: -101.087
Base-Backbone interact. energy: -1.890
local terms energy: -124.103793
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -35.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -370.268148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.268148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.268148 (E_RNA)
where:
Base-Base interactions energy: -240.075
where: short stacking energy: -120.148
Base-Backbone interact. energy: -0.070
local terms energy: -130.123270
where:
bonds (distance) C4'-P energy: -22.450
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -28.688
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -38.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -310.949035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.949035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.949035 (E_RNA)
where:
Base-Base interactions energy: -188.946
where: short stacking energy: -105.490
Base-Backbone interact. energy: -0.973
local terms energy: -121.030427
where:
bonds (distance) C4'-P energy: -24.463
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -29.835
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -287.758823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.758823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.758823 (E_RNA)
where:
Base-Base interactions energy: -187.754
where: short stacking energy: -85.238
Base-Backbone interact. energy: 0.574
local terms energy: -100.578885
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -23.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -271.067839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.067839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.067839 (E_RNA)
where:
Base-Base interactions energy: -161.108
where: short stacking energy: -83.120
Base-Backbone interact. energy: -0.477
local terms energy: -109.482528
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -249.356517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.356517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.356517 (E_RNA)
where:
Base-Base interactions energy: -157.620
where: short stacking energy: -81.878
Base-Backbone interact. energy: -0.920
local terms energy: -90.816176
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -29.571
flat angles P-C4'-P energy: -11.085
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: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -268.611163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.611163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.611163 (E_RNA)
where:
Base-Base interactions energy: -175.595
where: short stacking energy: -73.667
Base-Backbone interact. energy: -0.347
local terms energy: -92.669736
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -11.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -124.084060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.084060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.084060 (E_RNA)
where:
Base-Base interactions energy: -43.766
where: short stacking energy: -44.062
Base-Backbone interact. energy: -0.269
local terms energy: -80.049519
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -106.713833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.713833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.713833 (E_RNA)
where:
Base-Base interactions energy: -40.721
where: short stacking energy: -33.282
Base-Backbone interact. energy: -0.028
local terms energy: -65.964760
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -1.479
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: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -387.420366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.420366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.420366 (E_RNA)
where:
Base-Base interactions energy: -262.635
where: short stacking energy: -109.830
Base-Backbone interact. energy: -0.124
local terms energy: -124.660994
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -37.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -367.740099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.740099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.740099 (E_RNA)
where:
Base-Base interactions energy: -252.383
where: short stacking energy: -110.123
Base-Backbone interact. energy: 0.444
local terms energy: -115.801378
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -23.806
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: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -366.548347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.548347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.548347 (E_RNA)
where:
Base-Base interactions energy: -240.311
where: short stacking energy: -116.513
Base-Backbone interact. energy: -0.042
local terms energy: -126.195500
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -37.546
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: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -295.233582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.233582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.233582 (E_RNA)
where:
Base-Base interactions energy: -189.893
where: short stacking energy: -100.184
Base-Backbone interact. energy: 0.374
local terms energy: -105.713897
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -26.094
flat angles P-C4'-P energy: -8.992
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: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -273.295343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.295343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.295343 (E_RNA)
where:
Base-Base interactions energy: -168.434
where: short stacking energy: -75.522
Base-Backbone interact. energy: -0.179
local terms energy: -104.681792
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -275.482505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.482505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.482505 (E_RNA)
where:
Base-Base interactions energy: -161.259
where: short stacking energy: -77.930
Base-Backbone interact. energy: -1.188
local terms energy: -113.035829
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -27.437
flat angles P-C4'-P energy: -20.164
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -253.794843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.794843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.794843 (E_RNA)
where:
Base-Base interactions energy: -168.652
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.219
local terms energy: -84.923723
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -250.375142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.375142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.375142 (E_RNA)
where:
Base-Base interactions energy: -154.131
where: short stacking energy: -64.066
Base-Backbone interact. energy: -1.230
local terms energy: -95.014626
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -13.002
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: 300
Temperature: 1.300000
Total energy: -117.245193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.245193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.245193 (E_RNA)
where:
Base-Base interactions energy: -42.190
where: short stacking energy: -38.842
Base-Backbone interact. energy: -0.496
local terms energy: -74.558771
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: 3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -111.549291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.549291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.549291 (E_RNA)
where:
Base-Base interactions energy: -36.370
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.223
local terms energy: -74.956758
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -0.576
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: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -379.373816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.373816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.373816 (E_RNA)
where:
Base-Base interactions energy: -252.898
where: short stacking energy: -112.039
Base-Backbone interact. energy: -0.052
local terms energy: -126.424364
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -26.729
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -32.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -361.452025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.452025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.452025 (E_RNA)
where:
Base-Base interactions energy: -234.888
where: short stacking energy: -112.076
Base-Backbone interact. energy: -0.400
local terms energy: -126.164092
where:
bonds (distance) C4'-P energy: -26.561
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -20.700
tors. eta vs tors. theta energy: -33.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -344.621774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.621774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.621774 (E_RNA)
where:
Base-Base interactions energy: -228.891
where: short stacking energy: -92.611
Base-Backbone interact. energy: -0.192
local terms energy: -115.538826
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -26.552
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -26.954
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: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -277.226210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.226210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.226210 (E_RNA)
where:
Base-Base interactions energy: -164.081
where: short stacking energy: -83.625
Base-Backbone interact. energy: -1.359
local terms energy: -111.786306
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -26.929
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: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -272.052570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.052570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.052570 (E_RNA)
where:
Base-Base interactions energy: -165.944
where: short stacking energy: -85.587
Base-Backbone interact. energy: -0.080
local terms energy: -106.028939
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -14.148
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: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -276.205081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.205081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.205081 (E_RNA)
where:
Base-Base interactions energy: -188.425
where: short stacking energy: -85.183
Base-Backbone interact. energy: -0.272
local terms energy: -87.507522
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -23.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -257.352940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.352940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.352940 (E_RNA)
where:
Base-Base interactions energy: -159.718
where: short stacking energy: -76.630
Base-Backbone interact. energy: -0.638
local terms energy: -96.996467
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -245.959101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.959101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.959101 (E_RNA)
where:
Base-Base interactions energy: -148.586
where: short stacking energy: -72.673
Base-Backbone interact. energy: 2.106
local terms energy: -99.478771
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -14.007
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: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -120.258924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.258924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.258924 (E_RNA)
where:
Base-Base interactions energy: -46.541
where: short stacking energy: -41.681
Base-Backbone interact. energy: -0.525
local terms energy: -73.193189
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: 1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -129.350051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.350051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.350051 (E_RNA)
where:
Base-Base interactions energy: -46.480
where: short stacking energy: -36.248
Base-Backbone interact. energy: 0.683
local terms energy: -83.552791
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -3.845
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: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -384.042334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.042334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.042334 (E_RNA)
where:
Base-Base interactions energy: -252.264
where: short stacking energy: -111.371
Base-Backbone interact. energy: -2.358
local terms energy: -129.420762
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -20.535
tors. eta vs tors. theta energy: -33.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -347.456788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.456788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.456788 (E_RNA)
where:
Base-Base interactions energy: -215.858
where: short stacking energy: -106.041
Base-Backbone interact. energy: -0.003
local terms energy: -131.596035
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -27.831
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -37.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -346.820237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.820237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.820237 (E_RNA)
where:
Base-Base interactions energy: -223.236
where: short stacking energy: -95.549
Base-Backbone interact. energy: -0.132
local terms energy: -123.452226
where:
bonds (distance) C4'-P energy: -24.972
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -27.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -293.154071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.154071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.154071 (E_RNA)
where:
Base-Base interactions energy: -185.140
where: short stacking energy: -100.136
Base-Backbone interact. energy: -0.443
local terms energy: -107.570892
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -26.519
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: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -278.772306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.772306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.772306 (E_RNA)
where:
Base-Base interactions energy: -178.431
where: short stacking energy: -80.043
Base-Backbone interact. energy: -0.446
local terms energy: -99.895457
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -259.301082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.301082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.301082 (E_RNA)
where:
Base-Base interactions energy: -170.129
where: short stacking energy: -69.288
Base-Backbone interact. energy: -0.308
local terms energy: -88.863455
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -12.468
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: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -268.574518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.574518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.574518 (E_RNA)
where:
Base-Base interactions energy: -165.561
where: short stacking energy: -75.847
Base-Backbone interact. energy: -0.631
local terms energy: -102.382624
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -26.165
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -252.230446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.230446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.230446 (E_RNA)
where:
Base-Base interactions energy: -156.743
where: short stacking energy: -67.665
Base-Backbone interact. energy: 0.582
local terms energy: -96.069384
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -126.486409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.486409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.486409 (E_RNA)
where:
Base-Base interactions energy: -63.094
where: short stacking energy: -39.904
Base-Backbone interact. energy: -1.443
local terms energy: -61.949664
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: 6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -117.069029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.069029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.069029 (E_RNA)
where:
Base-Base interactions energy: -43.648
where: short stacking energy: -42.798
Base-Backbone interact. energy: -0.203
local terms energy: -73.218462
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -385.421758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.421758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.421758 (E_RNA)
where:
Base-Base interactions energy: -255.615
where: short stacking energy: -110.602
Base-Backbone interact. energy: -1.269
local terms energy: -128.537305
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -27.726
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -33.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -356.935267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.935267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.935267 (E_RNA)
where:
Base-Base interactions energy: -233.834
where: short stacking energy: -113.073
Base-Backbone interact. energy: -0.184
local terms energy: -122.916860
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -27.824
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -31.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -336.453750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.453750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.453750 (E_RNA)
where:
Base-Base interactions energy: -231.283
where: short stacking energy: -83.950
Base-Backbone interact. energy: -0.064
local terms energy: -105.106749
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -24.579
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -296.224409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.224409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.224409 (E_RNA)
where:
Base-Base interactions energy: -187.110
where: short stacking energy: -77.934
Base-Backbone interact. energy: -0.494
local terms energy: -108.620311
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -23.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -294.506678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.506678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.506678 (E_RNA)
where:
Base-Base interactions energy: -195.167
where: short stacking energy: -87.473
Base-Backbone interact. energy: 0.149
local terms energy: -99.489570
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -22.296
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: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -294.477276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.477276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.477276 (E_RNA)
where:
Base-Base interactions energy: -184.805
where: short stacking energy: -91.635
Base-Backbone interact. energy: -1.479
local terms energy: -108.193916
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -26.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -258.138783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.138783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.138783 (E_RNA)
where:
Base-Base interactions energy: -167.829
where: short stacking energy: -71.664
Base-Backbone interact. energy: -0.157
local terms energy: -90.152466
where:
bonds (distance) C4'-P energy: -23.888
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -237.641248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.641248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.641248 (E_RNA)
where:
Base-Base interactions energy: -149.156
where: short stacking energy: -68.806
Base-Backbone interact. energy: -0.422
local terms energy: -88.062931
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -27.389
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -122.582009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.582009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.582009 (E_RNA)
where:
Base-Base interactions energy: -49.456
where: short stacking energy: -47.219
Base-Backbone interact. energy: -0.288
local terms energy: -72.838297
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -121.259885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.259885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.259885 (E_RNA)
where:
Base-Base interactions energy: -48.071
where: short stacking energy: -27.621
Base-Backbone interact. energy: 1.863
local terms energy: -75.051974
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: 1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -383.025591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.025591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.025591 (E_RNA)
where:
Base-Base interactions energy: -253.844
where: short stacking energy: -109.155
Base-Backbone interact. energy: -0.064
local terms energy: -129.117101
where:
bonds (distance) C4'-P energy: -27.069
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -27.708
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -34.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -370.385854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.385854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.385854 (E_RNA)
where:
Base-Base interactions energy: -242.140
where: short stacking energy: -118.130
Base-Backbone interact. energy: -0.203
local terms energy: -128.042925
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -35.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -311.158852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.158852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.158852 (E_RNA)
where:
Base-Base interactions energy: -192.593
where: short stacking energy: -94.094
Base-Backbone interact. energy: -1.101
local terms energy: -117.464220
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -29.626
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -27.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -326.941315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.941315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.941315 (E_RNA)
where:
Base-Base interactions energy: -220.701
where: short stacking energy: -82.173
Base-Backbone interact. energy: -1.111
local terms energy: -105.128543
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -22.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -290.428443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.428443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.428443 (E_RNA)
where:
Base-Base interactions energy: -170.692
where: short stacking energy: -77.828
Base-Backbone interact. energy: 0.021
local terms energy: -119.757396
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -27.464
flat angles C4'-P-C4' energy: -24.611
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: -23.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -247.630173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.630173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.630173 (E_RNA)
where:
Base-Base interactions energy: -147.271
where: short stacking energy: -69.534
Base-Backbone interact. energy: -0.097
local terms energy: -100.262527
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -270.743566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.743566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.743566 (E_RNA)
where:
Base-Base interactions energy: -174.183
where: short stacking energy: -76.354
Base-Backbone interact. energy: -0.086
local terms energy: -96.474665
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -11.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -247.869790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.869790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.869790 (E_RNA)
where:
Base-Base interactions energy: -152.847
where: short stacking energy: -76.726
Base-Backbone interact. energy: 0.139
local terms energy: -95.162377
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -24.152
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -129.364896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.364896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.364896 (E_RNA)
where:
Base-Base interactions energy: -58.821
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.166
local terms energy: -70.377469
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -0.933
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: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -110.771186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.771186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.771186 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -26.328
Base-Backbone interact. energy: -0.531
local terms energy: -80.048846
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -29.601
flat angles C4'-P-C4' energy: -23.808
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -381.710031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.710031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.710031 (E_RNA)
where:
Base-Base interactions energy: -254.430
where: short stacking energy: -110.798
Base-Backbone interact. energy: -0.215
local terms energy: -127.065393
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -32.978
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: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -337.253912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.253912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.253912 (E_RNA)
where:
Base-Base interactions energy: -213.241
where: short stacking energy: -105.836
Base-Backbone interact. energy: -0.014
local terms energy: -123.998817
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -19.498
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: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -343.475950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.475950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.475950 (E_RNA)
where:
Base-Base interactions energy: -220.830
where: short stacking energy: -107.884
Base-Backbone interact. energy: 0.665
local terms energy: -123.310724
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -32.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -325.224708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.224708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.224708 (E_RNA)
where:
Base-Base interactions energy: -212.570
where: short stacking energy: -94.656
Base-Backbone interact. energy: -0.697
local terms energy: -111.958059
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -294.215484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.215484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.215484 (E_RNA)
where:
Base-Base interactions energy: -182.664
where: short stacking energy: -95.082
Base-Backbone interact. energy: -0.573
local terms energy: -110.978568
where:
bonds (distance) C4'-P energy: -25.299
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -24.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -285.425144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.425144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.425144 (E_RNA)
where:
Base-Base interactions energy: -173.131
where: short stacking energy: -90.403
Base-Backbone interact. energy: 2.204
local terms energy: -114.499082
where:
bonds (distance) C4'-P energy: -27.054
bonds (distance) P-C4' energy: -21.445
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -21.851
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: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -261.619531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.619531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.619531 (E_RNA)
where:
Base-Base interactions energy: -159.248
where: short stacking energy: -82.833
Base-Backbone interact. energy: -0.515
local terms energy: -101.856324
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -26.422
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -255.881503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.881503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.881503 (E_RNA)
where:
Base-Base interactions energy: -158.955
where: short stacking energy: -68.657
Base-Backbone interact. energy: -0.403
local terms energy: -96.523709
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -121.054529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.054529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.054529 (E_RNA)
where:
Base-Base interactions energy: -35.052
where: short stacking energy: -30.666
Base-Backbone interact. energy: 1.133
local terms energy: -87.136166
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -24.971
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -114.669596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.669596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.669596 (E_RNA)
where:
Base-Base interactions energy: -43.987
where: short stacking energy: -26.137
Base-Backbone interact. energy: 5.658
local terms energy: -76.340701
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: 6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -371.227297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.227297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.227297 (E_RNA)
where:
Base-Base interactions energy: -244.235
where: short stacking energy: -105.813
Base-Backbone interact. energy: -0.516
local terms energy: -126.476952
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -31.295
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -35.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -325.337759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.337759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.337759 (E_RNA)
where:
Base-Base interactions energy: -204.497
where: short stacking energy: -106.522
Base-Backbone interact. energy: 0.814
local terms energy: -121.654516
where:
bonds (distance) C4'-P energy: -27.423
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -31.642
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: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -354.779837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.779837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.779837 (E_RNA)
where:
Base-Base interactions energy: -234.716
where: short stacking energy: -115.653
Base-Backbone interact. energy: -0.790
local terms energy: -119.273857
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -25.798
flat angles P-C4'-P energy: -12.348
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: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -304.790357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.790357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.790357 (E_RNA)
where:
Base-Base interactions energy: -197.557
where: short stacking energy: -91.316
Base-Backbone interact. energy: -0.071
local terms energy: -107.162428
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -26.462
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -287.361006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.361006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.361006 (E_RNA)
where:
Base-Base interactions energy: -193.229
where: short stacking energy: -72.963
Base-Backbone interact. energy: -0.510
local terms energy: -93.622032
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -274.317265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.317265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.317265 (E_RNA)
where:
Base-Base interactions energy: -173.648
where: short stacking energy: -86.554
Base-Backbone interact. energy: -0.475
local terms energy: -100.193378
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -24.695
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: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -250.046934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.046934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.046934 (E_RNA)
where:
Base-Base interactions energy: -157.691
where: short stacking energy: -74.055
Base-Backbone interact. energy: -1.394
local terms energy: -90.962307
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -21.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -236.582317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.582317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.582317 (E_RNA)
where:
Base-Base interactions energy: -133.198
where: short stacking energy: -59.644
Base-Backbone interact. energy: -0.868
local terms energy: -102.516120
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -112.855998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.855998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.855998 (E_RNA)
where:
Base-Base interactions energy: -49.241
where: short stacking energy: -27.271
Base-Backbone interact. energy: -0.568
local terms energy: -63.047702
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -7.965
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: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -109.243132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.243132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.243132 (E_RNA)
where:
Base-Base interactions energy: -36.199
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.325
local terms energy: -72.719111
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -27.347
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: 2.333
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: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -362.212592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.212592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.212592 (E_RNA)
where:
Base-Base interactions energy: -242.766
where: short stacking energy: -101.701
Base-Backbone interact. energy: 1.276
local terms energy: -120.722440
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -15.582
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: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -358.513550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.513550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.513550 (E_RNA)
where:
Base-Base interactions energy: -230.105
where: short stacking energy: -106.245
Base-Backbone interact. energy: -0.756
local terms energy: -127.652155
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -30.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -312.475839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.475839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.475839 (E_RNA)
where:
Base-Base interactions energy: -197.168
where: short stacking energy: -95.355
Base-Backbone interact. energy: -0.778
local terms energy: -114.529379
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -28.868
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -307.052241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.052241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.052241 (E_RNA)
where:
Base-Base interactions energy: -198.444
where: short stacking energy: -90.089
Base-Backbone interact. energy: -0.415
local terms energy: -108.194030
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -299.092184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.092184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.092184 (E_RNA)
where:
Base-Base interactions energy: -193.610
where: short stacking energy: -90.561
Base-Backbone interact. energy: -0.248
local terms energy: -105.234701
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -27.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -274.722769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.722769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.722769 (E_RNA)
where:
Base-Base interactions energy: -172.561
where: short stacking energy: -75.263
Base-Backbone interact. energy: -0.233
local terms energy: -101.929199
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -15.569
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: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -260.097818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.097818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.097818 (E_RNA)
where:
Base-Base interactions energy: -155.375
where: short stacking energy: -71.687
Base-Backbone interact. energy: -1.188
local terms energy: -103.534385
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -202.527374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.527374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.527374 (E_RNA)
where:
Base-Base interactions energy: -111.763
where: short stacking energy: -50.968
Base-Backbone interact. energy: -0.063
local terms energy: -90.701393
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -10.158
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: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -128.867438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.867438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.867438 (E_RNA)
where:
Base-Base interactions energy: -45.012
where: short stacking energy: -36.916
Base-Backbone interact. energy: -0.783
local terms energy: -83.071751
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -27.250
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -109.633613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.633613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.633613 (E_RNA)
where:
Base-Base interactions energy: -39.903
where: short stacking energy: -28.365
Base-Backbone interact. energy: -0.497
local terms energy: -69.233655
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: 6.395
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: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -370.035175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.035175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.035175 (E_RNA)
where:
Base-Base interactions energy: -237.693
where: short stacking energy: -111.664
Base-Backbone interact. energy: -0.002
local terms energy: -132.340512
where:
bonds (distance) C4'-P energy: -28.688
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -27.199
flat angles P-C4'-P energy: -18.834
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: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -365.503539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.503539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.503539 (E_RNA)
where:
Base-Base interactions energy: -243.316
where: short stacking energy: -100.470
Base-Backbone interact. energy: -0.375
local terms energy: -121.812622
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -34.672
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: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -305.630971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.630971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.630971 (E_RNA)
where:
Base-Base interactions energy: -200.602
where: short stacking energy: -95.692
Base-Backbone interact. energy: 1.227
local terms energy: -106.255340
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -309.889942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.889942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.889942 (E_RNA)
where:
Base-Base interactions energy: -195.570
where: short stacking energy: -94.687
Base-Backbone interact. energy: -0.143
local terms energy: -114.177576
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -30.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -303.438518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.438518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.438518 (E_RNA)
where:
Base-Base interactions energy: -195.719
where: short stacking energy: -80.160
Base-Backbone interact. energy: -0.133
local terms energy: -107.585882
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -258.592494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.592494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.592494 (E_RNA)
where:
Base-Base interactions energy: -163.535
where: short stacking energy: -73.649
Base-Backbone interact. energy: -1.094
local terms energy: -93.964022
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -15.568
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: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -256.007373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.007373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.007373 (E_RNA)
where:
Base-Base interactions energy: -157.304
where: short stacking energy: -75.822
Base-Backbone interact. energy: 1.753
local terms energy: -100.456613
where:
bonds (distance) C4'-P energy: -21.410
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -24.237
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: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -190.408830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.408830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.408830 (E_RNA)
where:
Base-Base interactions energy: -117.332
where: short stacking energy: -46.724
Base-Backbone interact. energy: 0.043
local terms energy: -73.119766
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -132.850902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.850902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.850902 (E_RNA)
where:
Base-Base interactions energy: -42.821
where: short stacking energy: -36.040
Base-Backbone interact. energy: -1.104
local terms energy: -88.925840
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -113.632061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.632061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.632061 (E_RNA)
where:
Base-Base interactions energy: -52.762
where: short stacking energy: -26.456
Base-Backbone interact. energy: -0.684
local terms energy: -60.186330
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: 3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -368.790476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.790476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.790476 (E_RNA)
where:
Base-Base interactions energy: -239.411
where: short stacking energy: -106.330
Base-Backbone interact. energy: -0.593
local terms energy: -128.785887
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -27.109
flat angles C4'-P-C4' energy: -27.793
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -34.623
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: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -298.134168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.134168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.134168 (E_RNA)
where:
Base-Base interactions energy: -192.528
where: short stacking energy: -91.419
Base-Backbone interact. energy: -0.262
local terms energy: -105.344200
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -24.013
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -355.218979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.218979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.218979 (E_RNA)
where:
Base-Base interactions energy: -238.247
where: short stacking energy: -102.257
Base-Backbone interact. energy: -0.090
local terms energy: -116.881644
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -28.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -308.407792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.407792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.407792 (E_RNA)
where:
Base-Base interactions energy: -197.940
where: short stacking energy: -97.556
Base-Backbone interact. energy: -0.115
local terms energy: -110.352806
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -16.876
tors. eta vs tors. theta energy: -25.031
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: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -277.455086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.455086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.455086 (E_RNA)
where:
Base-Base interactions energy: -173.230
where: short stacking energy: -78.088
Base-Backbone interact. energy: -0.201
local terms energy: -104.023730
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -280.153245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.153245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.153245 (E_RNA)
where:
Base-Base interactions energy: -184.967
where: short stacking energy: -85.213
Base-Backbone interact. energy: -0.177
local terms energy: -95.009121
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -247.153590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.153590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.153590 (E_RNA)
where:
Base-Base interactions energy: -151.269
where: short stacking energy: -74.105
Base-Backbone interact. energy: -0.419
local terms energy: -95.464882
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -27.029
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -17.618
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: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -229.369866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.369866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.369866 (E_RNA)
where:
Base-Base interactions energy: -155.300
where: short stacking energy: -68.299
Base-Backbone interact. energy: -0.942
local terms energy: -73.127938
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -9.308
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: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -126.372560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.372560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.372560 (E_RNA)
where:
Base-Base interactions energy: -45.971
where: short stacking energy: -45.971
Base-Backbone interact. energy: -0.219
local terms energy: -80.182092
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -110.129837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.129837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.129837 (E_RNA)
where:
Base-Base interactions energy: -25.785
where: short stacking energy: -25.600
Base-Backbone interact. energy: -0.629
local terms energy: -83.715773
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -17.761
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: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -367.899947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.899947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.899947 (E_RNA)
where:
Base-Base interactions energy: -236.159
where: short stacking energy: -109.287
Base-Backbone interact. energy: -0.132
local terms energy: -131.608889
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -334.655524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.655524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.655524 (E_RNA)
where:
Base-Base interactions energy: -206.751
where: short stacking energy: -104.784
Base-Backbone interact. energy: 1.654
local terms energy: -129.558526
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -25.532
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -32.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -346.539227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.539227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.539227 (E_RNA)
where:
Base-Base interactions energy: -232.955
where: short stacking energy: -101.889
Base-Backbone interact. energy: -0.303
local terms energy: -113.281487
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -18.532
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: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -297.521089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.521089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.521089 (E_RNA)
where:
Base-Base interactions energy: -186.290
where: short stacking energy: -88.581
Base-Backbone interact. energy: -3.384
local terms energy: -107.847500
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -273.793612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.793612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.793612 (E_RNA)
where:
Base-Base interactions energy: -173.086
where: short stacking energy: -77.800
Base-Backbone interact. energy: -0.641
local terms energy: -100.066794
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -18.273
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: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -265.241313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.241313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.241313 (E_RNA)
where:
Base-Base interactions energy: -165.193
where: short stacking energy: -71.238
Base-Backbone interact. energy: -0.089
local terms energy: -99.960029
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -13.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -262.026960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.026960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.026960 (E_RNA)
where:
Base-Base interactions energy: -168.640
where: short stacking energy: -73.136
Base-Backbone interact. energy: -0.713
local terms energy: -92.674505
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -247.039227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.039227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.039227 (E_RNA)
where:
Base-Base interactions energy: -148.608
where: short stacking energy: -71.029
Base-Backbone interact. energy: -0.248
local terms energy: -98.183020
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -28.450
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -123.053718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.053718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.053718 (E_RNA)
where:
Base-Base interactions energy: -43.175
where: short stacking energy: -42.417
Base-Backbone interact. energy: 0.152
local terms energy: -80.031638
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -112.180950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.180950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.180950 (E_RNA)
where:
Base-Base interactions energy: -38.749
where: short stacking energy: -37.968
Base-Backbone interact. energy: 0.121
local terms energy: -73.552241
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -362.938588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.938588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.938588 (E_RNA)
where:
Base-Base interactions energy: -238.222
where: short stacking energy: -103.378
Base-Backbone interact. energy: -0.145
local terms energy: -124.571486
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -24.830
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -32.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -361.819318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.819318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.819318 (E_RNA)
where:
Base-Base interactions energy: -250.777
where: short stacking energy: -101.787
Base-Backbone interact. energy: -0.370
local terms energy: -110.672410
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -20.689
tors. eta vs tors. theta energy: -26.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -324.017864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.017864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.017864 (E_RNA)
where:
Base-Base interactions energy: -207.783
where: short stacking energy: -96.411
Base-Backbone interact. energy: -0.007
local terms energy: -116.227307
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -30.622
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: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -296.479080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.479080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.479080 (E_RNA)
where:
Base-Base interactions energy: -191.827
where: short stacking energy: -83.304
Base-Backbone interact. energy: 0.262
local terms energy: -104.914233
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -17.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -299.322262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.322262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.322262 (E_RNA)
where:
Base-Base interactions energy: -201.964
where: short stacking energy: -74.084
Base-Backbone interact. energy: -0.181
local terms energy: -97.177397
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -284.043685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.043685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.043685 (E_RNA)
where:
Base-Base interactions energy: -184.438
where: short stacking energy: -75.901
Base-Backbone interact. energy: -0.141
local terms energy: -99.464009
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -282.655847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.655847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.655847 (E_RNA)
where:
Base-Base interactions energy: -180.933
where: short stacking energy: -88.062
Base-Backbone interact. energy: 0.373
local terms energy: -102.095646
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -21.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -248.916662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.916662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.916662 (E_RNA)
where:
Base-Base interactions energy: -156.440
where: short stacking energy: -66.600
Base-Backbone interact. energy: -1.008
local terms energy: -91.468323
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -114.856020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.856020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.856020 (E_RNA)
where:
Base-Base interactions energy: -45.430
where: short stacking energy: -31.737
Base-Backbone interact. energy: -0.381
local terms energy: -69.045029
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: 2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -116.159381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.159381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.159381 (E_RNA)
where:
Base-Base interactions energy: -43.251
where: short stacking energy: -35.903
Base-Backbone interact. energy: -0.197
local terms energy: -72.711844
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -378.792162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.792162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.792162 (E_RNA)
where:
Base-Base interactions energy: -258.141
where: short stacking energy: -105.127
Base-Backbone interact. energy: -1.947
local terms energy: -118.704155
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -28.100
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -32.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -376.258989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.258989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.258989 (E_RNA)
where:
Base-Base interactions energy: -240.387
where: short stacking energy: -122.857
Base-Backbone interact. energy: -0.025
local terms energy: -135.846985
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: -35.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -341.501458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.501458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.501458 (E_RNA)
where:
Base-Base interactions energy: -213.164
where: short stacking energy: -107.942
Base-Backbone interact. energy: -0.037
local terms energy: -128.301210
where:
bonds (distance) C4'-P energy: -25.844
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -28.910
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: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -277.280895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.280895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.280895 (E_RNA)
where:
Base-Base interactions energy: -169.676
where: short stacking energy: -82.521
Base-Backbone interact. energy: -0.171
local terms energy: -107.434131
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -27.342
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: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -291.773119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.773119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.773119 (E_RNA)
where:
Base-Base interactions energy: -191.647
where: short stacking energy: -75.795
Base-Backbone interact. energy: -1.306
local terms energy: -98.820192
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -274.416285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.416285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.416285 (E_RNA)
where:
Base-Base interactions energy: -172.612
where: short stacking energy: -78.755
Base-Backbone interact. energy: 0.309
local terms energy: -102.113550
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -14.715
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: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -276.986532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.986532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.986532 (E_RNA)
where:
Base-Base interactions energy: -165.299
where: short stacking energy: -80.009
Base-Backbone interact. energy: -0.679
local terms energy: -111.009081
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -25.683
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -16.416
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: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -247.502988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.502988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.502988 (E_RNA)
where:
Base-Base interactions energy: -158.339
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.619
local terms energy: -88.545721
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -117.566465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.566465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.566465 (E_RNA)
where:
Base-Base interactions energy: -35.628
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.179
local terms energy: -81.759644
where:
bonds (distance) C4'-P energy: -26.111
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -112.179029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.179029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.179029 (E_RNA)
where:
Base-Base interactions energy: -35.063
where: short stacking energy: -31.735
Base-Backbone interact. energy: 0.085
local terms energy: -77.200821
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -382.122902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.122902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.122902 (E_RNA)
where:
Base-Base interactions energy: -260.649
where: short stacking energy: -107.265
Base-Backbone interact. energy: -0.419
local terms energy: -121.055295
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: -32.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -358.549431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.549431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.549431 (E_RNA)
where:
Base-Base interactions energy: -233.153
where: short stacking energy: -111.878
Base-Backbone interact. energy: -0.621
local terms energy: -124.775660
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -35.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -317.182873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.182873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.182873 (E_RNA)
where:
Base-Base interactions energy: -207.119
where: short stacking energy: -103.942
Base-Backbone interact. energy: -0.044
local terms energy: -110.019596
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -33.954
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: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -312.717369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.717369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.717369 (E_RNA)
where:
Base-Base interactions energy: -214.503
where: short stacking energy: -82.974
Base-Backbone interact. energy: -0.711
local terms energy: -97.502807
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -12.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -289.144448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.144448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.144448 (E_RNA)
where:
Base-Base interactions energy: -182.944
where: short stacking energy: -82.909
Base-Backbone interact. energy: -0.753
local terms energy: -105.448073
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -21.166
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -262.588509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.588509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.588509 (E_RNA)
where:
Base-Base interactions energy: -161.100
where: short stacking energy: -83.398
Base-Backbone interact. energy: -0.386
local terms energy: -101.102373
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -24.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -276.605708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.605708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.605708 (E_RNA)
where:
Base-Base interactions energy: -169.203
where: short stacking energy: -68.134
Base-Backbone interact. energy: -0.330
local terms energy: -107.072607
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -267.318225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.318225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.318225 (E_RNA)
where:
Base-Base interactions energy: -183.489
where: short stacking energy: -93.110
Base-Backbone interact. energy: -0.159
local terms energy: -83.669904
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -123.863564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.863564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.863564 (E_RNA)
where:
Base-Base interactions energy: -45.963
where: short stacking energy: -32.153
Base-Backbone interact. energy: 5.533
local terms energy: -83.433548
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -114.273495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.273495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.273495 (E_RNA)
where:
Base-Base interactions energy: -45.996
where: short stacking energy: -24.593
Base-Backbone interact. energy: -1.058
local terms energy: -67.219272
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -3.755
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -378.403958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.403958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.403958 (E_RNA)
where:
Base-Base interactions energy: -248.268
where: short stacking energy: -116.920
Base-Backbone interact. energy: -0.196
local terms energy: -129.940633
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -27.838
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -34.791
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: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -369.572542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.572542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.572542 (E_RNA)
where:
Base-Base interactions energy: -251.289
where: short stacking energy: -109.846
Base-Backbone interact. energy: -0.103
local terms energy: -118.180101
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -26.740
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -32.680
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: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -313.220323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.220323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.220323 (E_RNA)
where:
Base-Base interactions energy: -211.671
where: short stacking energy: -91.365
Base-Backbone interact. energy: -2.396
local terms energy: -99.153246
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -296.058419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.058419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.058419 (E_RNA)
where:
Base-Base interactions energy: -184.900
where: short stacking energy: -85.261
Base-Backbone interact. energy: -0.194
local terms energy: -110.964809
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -289.470045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.470045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.470045 (E_RNA)
where:
Base-Base interactions energy: -185.157
where: short stacking energy: -87.816
Base-Backbone interact. energy: -0.315
local terms energy: -103.998496
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -267.115848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.115848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.115848 (E_RNA)
where:
Base-Base interactions energy: -163.376
where: short stacking energy: -67.750
Base-Backbone interact. energy: -0.519
local terms energy: -103.220829
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -261.454914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.454914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.454914 (E_RNA)
where:
Base-Base interactions energy: -170.886
where: short stacking energy: -66.109
Base-Backbone interact. energy: -0.516
local terms energy: -90.052669
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -273.710262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.710262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.710262 (E_RNA)
where:
Base-Base interactions energy: -179.210
where: short stacking energy: -72.989
Base-Backbone interact. energy: -0.401
local terms energy: -94.099247
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -26.572
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -8.735
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: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -126.697070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.697070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.697070 (E_RNA)
where:
Base-Base interactions energy: -45.374
where: short stacking energy: -44.869
Base-Backbone interact. energy: -0.113
local terms energy: -81.209443
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -18.017
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: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -107.759079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.759079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.759079 (E_RNA)
where:
Base-Base interactions energy: -25.845
where: short stacking energy: -24.503
Base-Backbone interact. energy: -0.120
local terms energy: -81.793920
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -363.798091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.798091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.798091 (E_RNA)
where:
Base-Base interactions energy: -232.644
where: short stacking energy: -111.639
Base-Backbone interact. energy: -0.680
local terms energy: -130.474158
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -25.879
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -35.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -334.612691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.612691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.612691 (E_RNA)
where:
Base-Base interactions energy: -226.403
where: short stacking energy: -98.053
Base-Backbone interact. energy: -0.553
local terms energy: -107.657431
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -26.048
flat angles P-C4'-P energy: -13.349
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: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -367.313164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.313164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.313164 (E_RNA)
where:
Base-Base interactions energy: -248.669
where: short stacking energy: -111.424
Base-Backbone interact. energy: -0.110
local terms energy: -118.534139
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -33.176
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: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -293.784211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.784211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.784211 (E_RNA)
where:
Base-Base interactions energy: -190.902
where: short stacking energy: -86.043
Base-Backbone interact. energy: 0.383
local terms energy: -103.265138
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -14.093
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: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -283.651252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.651252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.651252 (E_RNA)
where:
Base-Base interactions energy: -179.088
where: short stacking energy: -88.818
Base-Backbone interact. energy: 0.478
local terms energy: -105.041029
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -26.106
flat angles P-C4'-P energy: -10.404
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: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -267.524010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.524010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.524010 (E_RNA)
where:
Base-Base interactions energy: -172.933
where: short stacking energy: -74.914
Base-Backbone interact. energy: 1.239
local terms energy: -95.830034
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -26.325
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -251.904684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.904684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.904684 (E_RNA)
where:
Base-Base interactions energy: -156.358
where: short stacking energy: -84.365
Base-Backbone interact. energy: -0.565
local terms energy: -94.981723
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -20.809
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: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -220.070444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.070444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.070444 (E_RNA)
where:
Base-Base interactions energy: -134.981
where: short stacking energy: -51.074
Base-Backbone interact. energy: -0.321
local terms energy: -84.768722
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -27.099
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -116.663694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.663694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.663694 (E_RNA)
where:
Base-Base interactions energy: -36.683
where: short stacking energy: -23.622
Base-Backbone interact. energy: 0.119
local terms energy: -80.099985
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -10.748
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: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -112.176746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.176746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.176746 (E_RNA)
where:
Base-Base interactions energy: -40.417
where: short stacking energy: -29.677
Base-Backbone interact. energy: -0.230
local terms energy: -71.529401
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -9.757
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: 316
Temperature: 0.900000
Total energy: -355.561929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.561929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.561929 (E_RNA)
where:
Base-Base interactions energy: -229.435
where: short stacking energy: -116.707
Base-Backbone interact. energy: -0.079
local terms energy: -126.047146
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -26.184
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -32.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -343.080670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.080670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.080670 (E_RNA)
where:
Base-Base interactions energy: -215.688
where: short stacking energy: -91.136
Base-Backbone interact. energy: -1.762
local terms energy: -125.630689
where:
bonds (distance) C4'-P energy: -28.330
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -18.591
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: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -363.227515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.227515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.227515 (E_RNA)
where:
Base-Base interactions energy: -235.128
where: short stacking energy: -104.502
Base-Backbone interact. energy: -0.065
local terms energy: -128.033728
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -35.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -316.470364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.470364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.470364 (E_RNA)
where:
Base-Base interactions energy: -213.012
where: short stacking energy: -96.430
Base-Backbone interact. energy: -0.317
local terms energy: -103.141370
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -10.731
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: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -297.887444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.887444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.887444 (E_RNA)
where:
Base-Base interactions energy: -189.127
where: short stacking energy: -84.066
Base-Backbone interact. energy: -0.116
local terms energy: -108.644572
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -22.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -261.668490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.668490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.668490 (E_RNA)
where:
Base-Base interactions energy: -167.613
where: short stacking energy: -73.977
Base-Backbone interact. energy: 1.034
local terms energy: -95.089628
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -260.997314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.997314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.997314 (E_RNA)
where:
Base-Base interactions energy: -167.254
where: short stacking energy: -78.277
Base-Backbone interact. energy: -0.703
local terms energy: -93.040404
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -244.987000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.987000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.987000 (E_RNA)
where:
Base-Base interactions energy: -157.976
where: short stacking energy: -71.716
Base-Backbone interact. energy: -0.214
local terms energy: -86.796701
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -127.759973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.759973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.759973 (E_RNA)
where:
Base-Base interactions energy: -67.025
where: short stacking energy: -31.899
Base-Backbone interact. energy: -0.183
local terms energy: -60.552831
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -24.077
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: 2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -165.908874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.908874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.908874 (E_RNA)
where:
Base-Base interactions energy: -90.066
where: short stacking energy: -28.663
Base-Backbone interact. energy: -1.273
local terms energy: -74.569788
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: 1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -354.422848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.422848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.422848 (E_RNA)
where:
Base-Base interactions energy: -221.082
where: short stacking energy: -101.662
Base-Backbone interact. energy: -0.301
local terms energy: -133.040057
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -25.194
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -37.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -341.497451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.497451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.497451 (E_RNA)
where:
Base-Base interactions energy: -224.093
where: short stacking energy: -94.024
Base-Backbone interact. energy: -0.211
local terms energy: -117.192806
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -27.533
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: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -318.040678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.040678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.040678 (E_RNA)
where:
Base-Base interactions energy: -211.097
where: short stacking energy: -92.077
Base-Backbone interact. energy: -1.262
local terms energy: -105.681203
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -26.607
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -311.944781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.944781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.944781 (E_RNA)
where:
Base-Base interactions energy: -203.444
where: short stacking energy: -97.979
Base-Backbone interact. energy: -0.425
local terms energy: -108.075732
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -25.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -314.300663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.300663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.300663 (E_RNA)
where:
Base-Base interactions energy: -206.695
where: short stacking energy: -94.468
Base-Backbone interact. energy: -0.435
local terms energy: -107.170816
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -31.381
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: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -289.428739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.428739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.428739 (E_RNA)
where:
Base-Base interactions energy: -187.289
where: short stacking energy: -87.900
Base-Backbone interact. energy: -0.141
local terms energy: -101.999272
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -26.759
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -251.563111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.563111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.563111 (E_RNA)
where:
Base-Base interactions energy: -175.858
where: short stacking energy: -67.360
Base-Backbone interact. energy: -0.676
local terms energy: -75.028751
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -257.476120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.476120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.476120 (E_RNA)
where:
Base-Base interactions energy: -167.850
where: short stacking energy: -80.987
Base-Backbone interact. energy: -0.144
local terms energy: -89.482135
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -116.168220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.168220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.168220 (E_RNA)
where:
Base-Base interactions energy: -45.056
where: short stacking energy: -24.646
Base-Backbone interact. energy: -0.157
local terms energy: -70.954965
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -240.280256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.280256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.280256 (E_RNA)
where:
Base-Base interactions energy: -166.343
where: short stacking energy: -60.088
Base-Backbone interact. energy: 2.603
local terms energy: -76.540854
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -369.510210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.510210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.510210 (E_RNA)
where:
Base-Base interactions energy: -245.829
where: short stacking energy: -107.044
Base-Backbone interact. energy: -0.015
local terms energy: -123.666799
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -25.116
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -29.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -361.327457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.327457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.327457 (E_RNA)
where:
Base-Base interactions energy: -227.664
where: short stacking energy: -104.096
Base-Backbone interact. energy: -0.011
local terms energy: -133.652117
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -24.808
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -35.134
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: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -314.633671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.633671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.633671 (E_RNA)
where:
Base-Base interactions energy: -202.382
where: short stacking energy: -88.767
Base-Backbone interact. energy: -0.102
local terms energy: -112.149466
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -21.661
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -328.564302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.564302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.564302 (E_RNA)
where:
Base-Base interactions energy: -214.277
where: short stacking energy: -103.072
Base-Backbone interact. energy: -0.526
local terms energy: -113.760434
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -26.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -291.440085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.440085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.440085 (E_RNA)
where:
Base-Base interactions energy: -186.302
where: short stacking energy: -94.525
Base-Backbone interact. energy: -0.197
local terms energy: -104.940546
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -24.324
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -278.420527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.420527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.420527 (E_RNA)
where:
Base-Base interactions energy: -177.355
where: short stacking energy: -73.030
Base-Backbone interact. energy: -0.254
local terms energy: -100.811812
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -267.693198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.693198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.693198 (E_RNA)
where:
Base-Base interactions energy: -173.788
where: short stacking energy: -71.109
Base-Backbone interact. energy: -0.010
local terms energy: -93.895019
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -251.710669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.710669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.710669 (E_RNA)
where:
Base-Base interactions energy: -157.070
where: short stacking energy: -65.094
Base-Backbone interact. energy: -0.187
local terms energy: -94.454323
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -272.349793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.349793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.349793 (E_RNA)
where:
Base-Base interactions energy: -185.744
where: short stacking energy: -83.607
Base-Backbone interact. energy: -0.129
local terms energy: -86.477260
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -16.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -126.101771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.101771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.101771 (E_RNA)
where:
Base-Base interactions energy: -47.076
where: short stacking energy: -42.409
Base-Backbone interact. energy: -0.688
local terms energy: -78.337586
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -361.484495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.484495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.484495 (E_RNA)
where:
Base-Base interactions energy: -231.383
where: short stacking energy: -107.143
Base-Backbone interact. energy: -0.186
local terms energy: -129.915823
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -26.943
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -31.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -364.557100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.557100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.557100 (E_RNA)
where:
Base-Base interactions energy: -240.562
where: short stacking energy: -112.052
Base-Backbone interact. energy: -0.524
local terms energy: -123.471670
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -19.762
tors. eta vs tors. theta energy: -33.245
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: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -328.795634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.795634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.795634 (E_RNA)
where:
Base-Base interactions energy: -208.107
where: short stacking energy: -96.658
Base-Backbone interact. energy: -0.240
local terms energy: -120.448634
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -309.864000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.864000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.864000 (E_RNA)
where:
Base-Base interactions energy: -205.245
where: short stacking energy: -90.391
Base-Backbone interact. energy: -0.204
local terms energy: -104.415093
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -27.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -283.541501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.541501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.541501 (E_RNA)
where:
Base-Base interactions energy: -171.945
where: short stacking energy: -93.153
Base-Backbone interact. energy: -0.102
local terms energy: -111.493593
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -23.106
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: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -273.804218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.804218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.804218 (E_RNA)
where:
Base-Base interactions energy: -176.092
where: short stacking energy: -81.221
Base-Backbone interact. energy: -0.398
local terms energy: -97.314349
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -20.569
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: 319
Temperature: 1.200000
Total energy: -258.692911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.692911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.692911 (E_RNA)
where:
Base-Base interactions energy: -167.989
where: short stacking energy: -81.290
Base-Backbone interact. energy: -0.324
local terms energy: -90.379618
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -10.955
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: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -241.093695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.093695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.093695 (E_RNA)
where:
Base-Base interactions energy: -170.843
where: short stacking energy: -74.906
Base-Backbone interact. energy: -0.492
local terms energy: -69.759247
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -248.653992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.653992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.653992 (E_RNA)
where:
Base-Base interactions energy: -171.785
where: short stacking energy: -70.856
Base-Backbone interact. energy: 0.180
local terms energy: -77.049228
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -110.378280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.378280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.378280 (E_RNA)
where:
Base-Base interactions energy: -41.962
where: short stacking energy: -38.512
Base-Backbone interact. energy: 0.102
local terms energy: -68.518550
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: 4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -369.707787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.707787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.707787 (E_RNA)
where:
Base-Base interactions energy: -236.707
where: short stacking energy: -125.034
Base-Backbone interact. energy: -0.057
local terms energy: -132.944396
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -36.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -356.178855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.178855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.178855 (E_RNA)
where:
Base-Base interactions energy: -232.067
where: short stacking energy: -101.647
Base-Backbone interact. energy: -1.303
local terms energy: -122.808926
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -32.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -318.959652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.959652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.959652 (E_RNA)
where:
Base-Base interactions energy: -212.543
where: short stacking energy: -92.716
Base-Backbone interact. energy: -1.333
local terms energy: -105.083831
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -29.578
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: 320
Temperature: 1.050000
Total energy: -313.304339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.304339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.304339 (E_RNA)
where:
Base-Base interactions energy: -200.252
where: short stacking energy: -85.727
Base-Backbone interact. energy: -0.084
local terms energy: -112.967835
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -294.241616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.241616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.241616 (E_RNA)
where:
Base-Base interactions energy: -186.879
where: short stacking energy: -101.837
Base-Backbone interact. energy: -0.208
local terms energy: -107.155587
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -26.550
flat angles P-C4'-P energy: -15.920
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: 6, replica: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -261.726423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.726423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.726423 (E_RNA)
where:
Base-Base interactions energy: -168.878
where: short stacking energy: -75.988
Base-Backbone interact. energy: -0.116
local terms energy: -92.732589
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -274.743311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.743311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.743311 (E_RNA)
where:
Base-Base interactions energy: -187.437
where: short stacking energy: -76.600
Base-Backbone interact. energy: 0.074
local terms energy: -87.380174
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -14.116
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: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -243.662510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.662510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.662510 (E_RNA)
where:
Base-Base interactions energy: -154.786
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.377
local terms energy: -88.498827
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -268.819077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.819077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.819077 (E_RNA)
where:
Base-Base interactions energy: -184.307
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.308
local terms energy: -84.203083
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -23.622
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -115.400434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.400434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.400434 (E_RNA)
where:
Base-Base interactions energy: -37.421
where: short stacking energy: -31.227
Base-Backbone interact. energy: -1.646
local terms energy: -76.333640
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: 3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -370.478469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.478469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.478469 (E_RNA)
where:
Base-Base interactions energy: -247.756
where: short stacking energy: -111.083
Base-Backbone interact. energy: -0.007
local terms energy: -122.715545
where:
bonds (distance) C4'-P energy: -26.595
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -33.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -359.696976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.696976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.696976 (E_RNA)
where:
Base-Base interactions energy: -237.883
where: short stacking energy: -96.691
Base-Backbone interact. energy: -0.500
local terms energy: -121.313834
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -21.788
tors. eta vs tors. theta energy: -28.569
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: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -313.668816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.668816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.668816 (E_RNA)
where:
Base-Base interactions energy: -198.598
where: short stacking energy: -86.296
Base-Backbone interact. energy: -0.307
local terms energy: -114.763354
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -309.682733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.682733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.682733 (E_RNA)
where:
Base-Base interactions energy: -189.660
where: short stacking energy: -95.745
Base-Backbone interact. energy: -0.068
local terms energy: -119.954202
where:
bonds (distance) C4'-P energy: -26.113
bonds (distance) P-C4' energy: -26.768
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -26.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -312.880050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.880050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.880050 (E_RNA)
where:
Base-Base interactions energy: -203.779
where: short stacking energy: -93.242
Base-Backbone interact. energy: 1.128
local terms energy: -110.229697
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -25.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -273.960522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.960522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.960522 (E_RNA)
where:
Base-Base interactions energy: -165.770
where: short stacking energy: -79.086
Base-Backbone interact. energy: 0.339
local terms energy: -108.529847
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -23.826
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -257.710676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.710676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.710676 (E_RNA)
where:
Base-Base interactions energy: -169.243
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.453
local terms energy: -88.014460
where:
bonds (distance) C4'-P energy: -28.821
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -9.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -257.466786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.466786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.466786 (E_RNA)
where:
Base-Base interactions energy: -170.308
where: short stacking energy: -79.440
Base-Backbone interact. energy: -0.162
local terms energy: -86.996225
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -233.015233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.015233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.015233 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -62.591
Base-Backbone interact. energy: -0.996
local terms energy: -88.296018
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -17.378
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: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -114.747737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.747737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.747737 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -22.917
Base-Backbone interact. energy: -0.407
local terms energy: -78.545209
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: 1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -372.256555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.256555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.256555 (E_RNA)
where:
Base-Base interactions energy: -250.298
where: short stacking energy: -109.686
Base-Backbone interact. energy: -0.200
local terms energy: -121.758323
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -366.673821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.673821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.673821 (E_RNA)
where:
Base-Base interactions energy: -243.914
where: short stacking energy: -119.605
Base-Backbone interact. energy: -0.313
local terms energy: -122.446501
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -25.160
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: -34.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -312.757523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.757523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.757523 (E_RNA)
where:
Base-Base interactions energy: -199.856
where: short stacking energy: -90.136
Base-Backbone interact. energy: -0.293
local terms energy: -112.609510
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -20.616
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: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -311.995340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.995340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.995340 (E_RNA)
where:
Base-Base interactions energy: -197.349
where: short stacking energy: -91.257
Base-Backbone interact. energy: -0.513
local terms energy: -114.133414
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -31.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -296.593675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.593675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.593675 (E_RNA)
where:
Base-Base interactions energy: -203.801
where: short stacking energy: -87.821
Base-Backbone interact. energy: -1.154
local terms energy: -91.639423
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -17.935
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: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -267.240817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.240817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.240817 (E_RNA)
where:
Base-Base interactions energy: -166.835
where: short stacking energy: -71.778
Base-Backbone interact. energy: -1.610
local terms energy: -98.796453
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -247.215311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.215311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.215311 (E_RNA)
where:
Base-Base interactions energy: -159.992
where: short stacking energy: -70.212
Base-Backbone interact. energy: -0.445
local terms energy: -86.778419
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -213.600226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.600226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.600226 (E_RNA)
where:
Base-Base interactions energy: -124.085
where: short stacking energy: -51.837
Base-Backbone interact. energy: -0.426
local terms energy: -89.089819
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -9.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -232.414322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.414322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.414322 (E_RNA)
where:
Base-Base interactions energy: -156.965
where: short stacking energy: -69.253
Base-Backbone interact. energy: 1.470
local terms energy: -76.919140
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -108.866216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.866216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.866216 (E_RNA)
where:
Base-Base interactions energy: -45.191
where: short stacking energy: -28.626
Base-Backbone interact. energy: -1.312
local terms energy: -62.362725
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: 3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -372.762071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.762071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.762071 (E_RNA)
where:
Base-Base interactions energy: -251.498
where: short stacking energy: -104.850
Base-Backbone interact. energy: -0.007
local terms energy: -121.256958
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -29.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -364.943214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.943214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.943214 (E_RNA)
where:
Base-Base interactions energy: -234.394
where: short stacking energy: -116.778
Base-Backbone interact. energy: -0.592
local terms energy: -129.957489
where:
bonds (distance) C4'-P energy: -25.851
bonds (distance) P-C4' energy: -24.901
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -38.156
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: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -325.278914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.278914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.278914 (E_RNA)
where:
Base-Base interactions energy: -213.663
where: short stacking energy: -109.565
Base-Backbone interact. energy: -0.998
local terms energy: -110.618357
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -26.214
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -34.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -303.706381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.706381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.706381 (E_RNA)
where:
Base-Base interactions energy: -187.961
where: short stacking energy: -90.755
Base-Backbone interact. energy: 2.061
local terms energy: -117.805942
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -26.026
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -301.596932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.596932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.596932 (E_RNA)
where:
Base-Base interactions energy: -193.970
where: short stacking energy: -87.279
Base-Backbone interact. energy: -0.442
local terms energy: -107.184659
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -23.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -257.806559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.806559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.806559 (E_RNA)
where:
Base-Base interactions energy: -169.950
where: short stacking energy: -66.245
Base-Backbone interact. energy: 0.010
local terms energy: -87.866434
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -270.704087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.704087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.704087 (E_RNA)
where:
Base-Base interactions energy: -176.626
where: short stacking energy: -80.826
Base-Backbone interact. energy: 0.143
local terms energy: -94.221029
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -258.638975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.638975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.638975 (E_RNA)
where:
Base-Base interactions energy: -163.455
where: short stacking energy: -71.017
Base-Backbone interact. energy: 0.049
local terms energy: -95.233667
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -217.905014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.905014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.905014 (E_RNA)
where:
Base-Base interactions energy: -144.214
where: short stacking energy: -57.126
Base-Backbone interact. energy: 4.268
local terms energy: -77.958948
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -106.468019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.468019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.468019 (E_RNA)
where:
Base-Base interactions energy: -44.177
where: short stacking energy: -24.219
Base-Backbone interact. energy: 1.055
local terms energy: -63.345375
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: 2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -364.443845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.443845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.443845 (E_RNA)
where:
Base-Base interactions energy: -234.159
where: short stacking energy: -105.094
Base-Backbone interact. energy: -0.248
local terms energy: -130.037581
where:
bonds (distance) C4'-P energy: -25.558
bonds (distance) P-C4' energy: -27.281
flat angles C4'-P-C4' energy: -26.742
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -33.196
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: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -358.279362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.279362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.279362 (E_RNA)
where:
Base-Base interactions energy: -239.281
where: short stacking energy: -102.347
Base-Backbone interact. energy: -0.061
local terms energy: -118.936938
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -29.478
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -34.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -316.810289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.810289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.810289 (E_RNA)
where:
Base-Base interactions energy: -202.345
where: short stacking energy: -98.516
Base-Backbone interact. energy: -0.259
local terms energy: -114.205822
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -28.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -289.854005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.854005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.854005 (E_RNA)
where:
Base-Base interactions energy: -178.807
where: short stacking energy: -88.773
Base-Backbone interact. energy: -0.697
local terms energy: -110.350143
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -29.172
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: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -280.702077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.702077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.702077 (E_RNA)
where:
Base-Base interactions energy: -189.400
where: short stacking energy: -90.987
Base-Backbone interact. energy: -0.189
local terms energy: -91.112967
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: -24.379
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: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -257.275747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.275747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.275747 (E_RNA)
where:
Base-Base interactions energy: -168.307
where: short stacking energy: -80.811
Base-Backbone interact. energy: -0.210
local terms energy: -88.758553
where:
bonds (distance) C4'-P energy: -26.060
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -251.677292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.677292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.677292 (E_RNA)
where:
Base-Base interactions energy: -148.584
where: short stacking energy: -66.654
Base-Backbone interact. energy: -0.772
local terms energy: -102.320736
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -252.132086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.132086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.132086 (E_RNA)
where:
Base-Base interactions energy: -172.683
where: short stacking energy: -74.518
Base-Backbone interact. energy: 2.639
local terms energy: -82.088124
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -211.935801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.935801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.935801 (E_RNA)
where:
Base-Base interactions energy: -114.793
where: short stacking energy: -44.691
Base-Backbone interact. energy: -0.198
local terms energy: -96.944454
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -113.125819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.125819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.125819 (E_RNA)
where:
Base-Base interactions energy: -32.465
where: short stacking energy: -32.565
Base-Backbone interact. energy: 0.243
local terms energy: -80.903262
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -367.974907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.974907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.974907 (E_RNA)
where:
Base-Base interactions energy: -238.455
where: short stacking energy: -117.770
Base-Backbone interact. energy: -0.023
local terms energy: -129.497185
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -34.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -345.418601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.418601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.418601 (E_RNA)
where:
Base-Base interactions energy: -216.540
where: short stacking energy: -92.457
Base-Backbone interact. energy: -1.068
local terms energy: -127.810785
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -30.283
flat angles C4'-P-C4' energy: -28.005
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -309.237065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.237065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.237065 (E_RNA)
where:
Base-Base interactions energy: -193.698
where: short stacking energy: -96.208
Base-Backbone interact. energy: 0.199
local terms energy: -115.738469
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -29.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -293.401447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.401447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.401447 (E_RNA)
where:
Base-Base interactions energy: -182.055
where: short stacking energy: -83.779
Base-Backbone interact. energy: -0.434
local terms energy: -110.912137
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -17.426
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: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -293.937743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.937743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.937743 (E_RNA)
where:
Base-Base interactions energy: -182.285
where: short stacking energy: -87.771
Base-Backbone interact. energy: -0.399
local terms energy: -111.254419
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -26.091
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -23.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -249.068322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.068322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.068322 (E_RNA)
where:
Base-Base interactions energy: -167.017
where: short stacking energy: -65.679
Base-Backbone interact. energy: -0.359
local terms energy: -81.692212
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -262.933073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.933073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.933073 (E_RNA)
where:
Base-Base interactions energy: -158.690
where: short stacking energy: -81.722
Base-Backbone interact. energy: -0.198
local terms energy: -104.045024
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -14.391
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: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -258.199493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.199493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.199493 (E_RNA)
where:
Base-Base interactions energy: -164.919
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.228
local terms energy: -93.052940
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -23.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -218.128745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.128745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.128745 (E_RNA)
where:
Base-Base interactions energy: -118.322
where: short stacking energy: -53.142
Base-Backbone interact. energy: -1.883
local terms energy: -97.923203
where:
bonds (distance) C4'-P energy: -25.638
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -115.672593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.672593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.672593 (E_RNA)
where:
Base-Base interactions energy: -45.936
where: short stacking energy: -35.081
Base-Backbone interact. energy: 0.265
local terms energy: -70.001311
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -24.738
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: 0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -363.120230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.120230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.120230 (E_RNA)
where:
Base-Base interactions energy: -241.898
where: short stacking energy: -109.090
Base-Backbone interact. energy: -0.156
local terms energy: -121.065637
where:
bonds (distance) C4'-P energy: -26.088
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -14.180
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: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -359.599134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.599134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.599134 (E_RNA)
where:
Base-Base interactions energy: -238.743
where: short stacking energy: -92.380
Base-Backbone interact. energy: -0.344
local terms energy: -120.512498
where:
bonds (distance) C4'-P energy: -26.800
bonds (distance) P-C4' energy: -21.907
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -27.774
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: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -312.948901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.948901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.948901 (E_RNA)
where:
Base-Base interactions energy: -209.631
where: short stacking energy: -90.390
Base-Backbone interact. energy: -0.254
local terms energy: -103.063471
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -309.831541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.831541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.831541 (E_RNA)
where:
Base-Base interactions energy: -192.435
where: short stacking energy: -94.538
Base-Backbone interact. energy: -0.160
local terms energy: -117.236587
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -33.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -297.953616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.953616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.953616 (E_RNA)
where:
Base-Base interactions energy: -177.344
where: short stacking energy: -90.255
Base-Backbone interact. energy: -0.021
local terms energy: -120.587901
where:
bonds (distance) C4'-P energy: -24.839
bonds (distance) P-C4' energy: -25.931
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -19.394
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: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -243.993785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.993785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.993785 (E_RNA)
where:
Base-Base interactions energy: -146.148
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.249
local terms energy: -97.596632
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -11.222
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: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -249.255303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.255303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.255303 (E_RNA)
where:
Base-Base interactions energy: -142.365
where: short stacking energy: -61.908
Base-Backbone interact. energy: -0.003
local terms energy: -106.887435
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -247.630513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.630513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.630513 (E_RNA)
where:
Base-Base interactions energy: -153.320
where: short stacking energy: -65.356
Base-Backbone interact. energy: -0.144
local terms energy: -94.166125
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -230.364895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.364895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.364895 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -64.785
Base-Backbone interact. energy: -0.477
local terms energy: -84.657937
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -10.930
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: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -115.079398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.079398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.079398 (E_RNA)
where:
Base-Base interactions energy: -41.916
where: short stacking energy: -41.916
Base-Backbone interact. energy: -0.168
local terms energy: -72.995354
where:
bonds (distance) C4'-P energy: -22.602
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -4.308
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: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -362.881434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.881434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.881434 (E_RNA)
where:
Base-Base interactions energy: -237.995
where: short stacking energy: -107.305
Base-Backbone interact. energy: -0.669
local terms energy: -124.218291
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -29.760
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -30.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -354.798935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.798935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.798935 (E_RNA)
where:
Base-Base interactions energy: -228.592
where: short stacking energy: -95.779
Base-Backbone interact. energy: -0.228
local terms energy: -125.979105
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -27.808
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -29.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -327.070173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.070173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.070173 (E_RNA)
where:
Base-Base interactions energy: -217.228
where: short stacking energy: -105.780
Base-Backbone interact. energy: -0.227
local terms energy: -109.615416
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -17.841
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -308.644361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.644361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.644361 (E_RNA)
where:
Base-Base interactions energy: -206.299
where: short stacking energy: -86.276
Base-Backbone interact. energy: -1.825
local terms energy: -100.519560
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -17.847
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: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -286.898263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.898263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.898263 (E_RNA)
where:
Base-Base interactions energy: -189.158
where: short stacking energy: -80.711
Base-Backbone interact. energy: 0.711
local terms energy: -98.451460
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -282.199503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.199503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.199503 (E_RNA)
where:
Base-Base interactions energy: -180.467
where: short stacking energy: -82.077
Base-Backbone interact. energy: -0.074
local terms energy: -101.658463
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -23.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -243.715400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.715400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.715400 (E_RNA)
where:
Base-Base interactions energy: -147.012
where: short stacking energy: -61.988
Base-Backbone interact. energy: -0.363
local terms energy: -96.340541
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -25.212
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -19.018
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: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -219.182399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.182399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.182399 (E_RNA)
where:
Base-Base interactions energy: -130.684
where: short stacking energy: -63.187
Base-Backbone interact. energy: -1.283
local terms energy: -87.215613
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -12.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -255.645056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.645056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.645056 (E_RNA)
where:
Base-Base interactions energy: -159.221
where: short stacking energy: -69.677
Base-Backbone interact. energy: -0.369
local terms energy: -96.054379
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -11.956
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: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -123.127373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.127373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.127373 (E_RNA)
where:
Base-Base interactions energy: -37.766
where: short stacking energy: -33.715
Base-Backbone interact. energy: -0.509
local terms energy: -84.852232
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -3.667
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: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -371.575430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.575430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.575430 (E_RNA)
where:
Base-Base interactions energy: -247.331
where: short stacking energy: -113.453
Base-Backbone interact. energy: -0.034
local terms energy: -124.210106
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -37.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -351.461691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.461691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.461691 (E_RNA)
where:
Base-Base interactions energy: -239.006
where: short stacking energy: -94.961
Base-Backbone interact. energy: 5.278
local terms energy: -117.733574
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -26.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -308.701826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.701826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.701826 (E_RNA)
where:
Base-Base interactions energy: -205.363
where: short stacking energy: -93.915
Base-Backbone interact. energy: 0.153
local terms energy: -103.491617
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -22.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -301.522940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.522940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.522940 (E_RNA)
where:
Base-Base interactions energy: -198.377
where: short stacking energy: -90.863
Base-Backbone interact. energy: -1.284
local terms energy: -101.861417
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -29.476
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -16.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -278.373284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.373284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.373284 (E_RNA)
where:
Base-Base interactions energy: -169.809
where: short stacking energy: -86.568
Base-Backbone interact. energy: -0.401
local terms energy: -108.164059
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -26.236
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -22.247
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: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -282.844214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.844214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.844214 (E_RNA)
where:
Base-Base interactions energy: -168.166
where: short stacking energy: -75.404
Base-Backbone interact. energy: -1.043
local terms energy: -113.634939
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -18.675
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: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -242.415937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.415937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.415937 (E_RNA)
where:
Base-Base interactions energy: -146.963
where: short stacking energy: -61.702
Base-Backbone interact. energy: -1.579
local terms energy: -93.874875
where:
bonds (distance) C4'-P energy: -20.001
bonds (distance) P-C4' energy: -27.911
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -247.139460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.139460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.139460 (E_RNA)
where:
Base-Base interactions energy: -159.981
where: short stacking energy: -76.952
Base-Backbone interact. energy: -0.880
local terms energy: -86.278019
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -265.846980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.846980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.846980 (E_RNA)
where:
Base-Base interactions energy: -167.938
where: short stacking energy: -88.065
Base-Backbone interact. energy: -0.602
local terms energy: -97.306899
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -22.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -132.327979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.327979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.327979 (E_RNA)
where:
Base-Base interactions energy: -62.651
where: short stacking energy: -39.333
Base-Backbone interact. energy: -0.898
local terms energy: -68.778543
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -371.896912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.896912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.896912 (E_RNA)
where:
Base-Base interactions energy: -244.433
where: short stacking energy: -126.093
Base-Backbone interact. energy: -0.535
local terms energy: -126.929368
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -36.100
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: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -356.976112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.976112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.976112 (E_RNA)
where:
Base-Base interactions energy: -244.320
where: short stacking energy: -105.155
Base-Backbone interact. energy: -0.047
local terms energy: -112.609170
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -32.691
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: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -317.643875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.643875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.643875 (E_RNA)
where:
Base-Base interactions energy: -206.766
where: short stacking energy: -92.524
Base-Backbone interact. energy: 0.344
local terms energy: -111.222397
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -27.396
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -22.279
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: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -320.247055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.247055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.247055 (E_RNA)
where:
Base-Base interactions energy: -198.270
where: short stacking energy: -92.016
Base-Backbone interact. energy: -1.269
local terms energy: -120.708146
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -23.249
flat angles C4'-P-C4' energy: -24.292
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -28.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -259.553217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.553217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.553217 (E_RNA)
where:
Base-Base interactions energy: -168.022
where: short stacking energy: -68.707
Base-Backbone interact. energy: -0.353
local terms energy: -91.177944
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -274.302666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.302666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.302666 (E_RNA)
where:
Base-Base interactions energy: -184.538
where: short stacking energy: -72.287
Base-Backbone interact. energy: -0.112
local terms energy: -89.653234
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -12.646
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: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -236.208280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.208280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.208280 (E_RNA)
where:
Base-Base interactions energy: -148.992
where: short stacking energy: -64.675
Base-Backbone interact. energy: -0.564
local terms energy: -86.652768
where:
bonds (distance) C4'-P energy: -7.841
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -240.648395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.648395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.648395 (E_RNA)
where:
Base-Base interactions energy: -153.441
where: short stacking energy: -58.114
Base-Backbone interact. energy: -1.337
local terms energy: -85.870971
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -9.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -264.519840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.519840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.519840 (E_RNA)
where:
Base-Base interactions energy: -173.032
where: short stacking energy: -76.935
Base-Backbone interact. energy: 0.600
local terms energy: -92.087882
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -118.293422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.293422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.293422 (E_RNA)
where:
Base-Base interactions energy: -49.265
where: short stacking energy: -37.954
Base-Backbone interact. energy: -0.592
local terms energy: -68.436463
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: 0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -363.240432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.240432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.240432 (E_RNA)
where:
Base-Base interactions energy: -233.823
where: short stacking energy: -103.626
Base-Backbone interact. energy: -0.431
local terms energy: -128.986437
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -32.390
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: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -359.127721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.127721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.127721 (E_RNA)
where:
Base-Base interactions energy: -226.087
where: short stacking energy: -104.516
Base-Backbone interact. energy: -0.681
local terms energy: -132.359523
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -26.449
flat angles P-C4'-P energy: -22.317
tors. eta vs tors. theta energy: -32.178
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: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -306.230960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.230960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.230960 (E_RNA)
where:
Base-Base interactions energy: -198.221
where: short stacking energy: -98.472
Base-Backbone interact. energy: 0.152
local terms energy: -108.162303
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -25.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -297.005319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.005319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.005319 (E_RNA)
where:
Base-Base interactions energy: -182.808
where: short stacking energy: -84.869
Base-Backbone interact. energy: -0.095
local terms energy: -114.102405
where:
bonds (distance) C4'-P energy: -25.463
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -289.252816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.252816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.252816 (E_RNA)
where:
Base-Base interactions energy: -183.311
where: short stacking energy: -82.905
Base-Backbone interact. energy: -0.212
local terms energy: -105.729946
where:
bonds (distance) C4'-P energy: -24.906
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -24.592
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: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -240.128596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.128596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.128596 (E_RNA)
where:
Base-Base interactions energy: -147.297
where: short stacking energy: -80.743
Base-Backbone interact. energy: -0.042
local terms energy: -92.789296
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -259.197405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.197405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.197405 (E_RNA)
where:
Base-Base interactions energy: -154.657
where: short stacking energy: -73.366
Base-Backbone interact. energy: -1.169
local terms energy: -103.371099
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -239.322729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.322729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.322729 (E_RNA)
where:
Base-Base interactions energy: -149.240
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.294
local terms energy: -89.788634
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -27.726
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -15.227
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: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -248.034011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.034011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.034011 (E_RNA)
where:
Base-Base interactions energy: -161.408
where: short stacking energy: -62.441
Base-Backbone interact. energy: -0.805
local terms energy: -85.820734
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -14.867
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: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -115.492930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.492930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.492930 (E_RNA)
where:
Base-Base interactions energy: -36.422
where: short stacking energy: -32.946
Base-Backbone interact. energy: 0.133
local terms energy: -79.204606
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -24.505
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: 1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -358.024066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.024066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.024066 (E_RNA)
where:
Base-Base interactions energy: -238.093
where: short stacking energy: -106.133
Base-Backbone interact. energy: -0.085
local terms energy: -119.845363
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -30.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -370.636926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.636926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.636926 (E_RNA)
where:
Base-Base interactions energy: -235.871
where: short stacking energy: -116.293
Base-Backbone interact. energy: -0.004
local terms energy: -134.762144
where:
bonds (distance) C4'-P energy: -25.491
bonds (distance) P-C4' energy: -27.909
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -38.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -301.789752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.789752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.789752 (E_RNA)
where:
Base-Base interactions energy: -200.043
where: short stacking energy: -82.847
Base-Backbone interact. energy: -0.240
local terms energy: -101.506456
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -25.819
flat angles P-C4'-P energy: -9.354
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: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -297.007911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.007911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.007911 (E_RNA)
where:
Base-Base interactions energy: -196.837
where: short stacking energy: -92.245
Base-Backbone interact. energy: -0.188
local terms energy: -99.982630
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -19.273
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -8.138
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: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -275.284297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.284297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.284297 (E_RNA)
where:
Base-Base interactions energy: -163.315
where: short stacking energy: -79.674
Base-Backbone interact. energy: -0.196
local terms energy: -111.772800
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -253.147803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.147803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.147803 (E_RNA)
where:
Base-Base interactions energy: -153.494
where: short stacking energy: -77.256
Base-Backbone interact. energy: -0.299
local terms energy: -99.354613
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -229.222234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.222234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.222234 (E_RNA)
where:
Base-Base interactions energy: -137.104
where: short stacking energy: -75.576
Base-Backbone interact. energy: -0.155
local terms energy: -91.963675
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -261.152882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.152882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.152882 (E_RNA)
where:
Base-Base interactions energy: -169.265
where: short stacking energy: -68.728
Base-Backbone interact. energy: -0.531
local terms energy: -91.356302
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -13.104
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: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -242.247568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.247568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.247568 (E_RNA)
where:
Base-Base interactions energy: -174.594
where: short stacking energy: -74.674
Base-Backbone interact. energy: -0.304
local terms energy: -67.349403
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -122.736677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.736677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.736677 (E_RNA)
where:
Base-Base interactions energy: -53.056
where: short stacking energy: -38.696
Base-Backbone interact. energy: -0.502
local terms energy: -69.179283
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: 1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -361.775172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.775172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.775172 (E_RNA)
where:
Base-Base interactions energy: -235.972
where: short stacking energy: -114.669
Base-Backbone interact. energy: -0.094
local terms energy: -125.709185
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -33.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -360.119797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.119797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.119797 (E_RNA)
where:
Base-Base interactions energy: -246.039
where: short stacking energy: -108.581
Base-Backbone interact. energy: -0.366
local terms energy: -113.715226
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -16.403
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: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -329.598205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.598205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.598205 (E_RNA)
where:
Base-Base interactions energy: -214.463
where: short stacking energy: -107.067
Base-Backbone interact. energy: -0.062
local terms energy: -115.072475
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -28.210
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -23.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -295.070095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.070095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.070095 (E_RNA)
where:
Base-Base interactions energy: -192.045
where: short stacking energy: -82.868
Base-Backbone interact. energy: -0.251
local terms energy: -102.773543
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -284.205814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.205814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.205814 (E_RNA)
where:
Base-Base interactions energy: -191.431
where: short stacking energy: -77.240
Base-Backbone interact. energy: -0.322
local terms energy: -92.453441
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -25.616
flat angles P-C4'-P energy: -9.828
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: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -265.443776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.443776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.443776 (E_RNA)
where:
Base-Base interactions energy: -173.875
where: short stacking energy: -84.392
Base-Backbone interact. energy: -0.226
local terms energy: -91.341985
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -23.207
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -278.295368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.295368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.295368 (E_RNA)
where:
Base-Base interactions energy: -164.549
where: short stacking energy: -76.535
Base-Backbone interact. energy: -0.672
local terms energy: -113.074396
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -229.724140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.724140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.724140 (E_RNA)
where:
Base-Base interactions energy: -151.553
where: short stacking energy: -64.278
Base-Backbone interact. energy: 1.278
local terms energy: -79.449448
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -14.126
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: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -232.003201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.003201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.003201 (E_RNA)
where:
Base-Base interactions energy: -146.456
where: short stacking energy: -66.375
Base-Backbone interact. energy: -0.573
local terms energy: -84.974443
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -8.635
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: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -113.975660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.975660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.975660 (E_RNA)
where:
Base-Base interactions energy: -40.620
where: short stacking energy: -32.109
Base-Backbone interact. energy: -0.198
local terms energy: -73.157927
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -371.537073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.537073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.537073 (E_RNA)
where:
Base-Base interactions energy: -240.696
where: short stacking energy: -112.051
Base-Backbone interact. energy: -1.199
local terms energy: -129.642449
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -19.813
tors. eta vs tors. theta energy: -38.417
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: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -352.826337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.826337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.826337 (E_RNA)
where:
Base-Base interactions energy: -231.432
where: short stacking energy: -100.121
Base-Backbone interact. energy: -0.108
local terms energy: -121.286437
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -28.827
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -33.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -318.848725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.848725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.848725 (E_RNA)
where:
Base-Base interactions energy: -207.549
where: short stacking energy: -96.202
Base-Backbone interact. energy: -0.156
local terms energy: -111.143942
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -26.491
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -21.295
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: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -293.038087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.038087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.038087 (E_RNA)
where:
Base-Base interactions energy: -179.337
where: short stacking energy: -80.833
Base-Backbone interact. energy: -1.143
local terms energy: -112.557801
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -291.999076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.999076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.999076 (E_RNA)
where:
Base-Base interactions energy: -189.145
where: short stacking energy: -89.443
Base-Backbone interact. energy: 0.808
local terms energy: -103.662018
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -286.572235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.572235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.572235 (E_RNA)
where:
Base-Base interactions energy: -180.465
where: short stacking energy: -78.476
Base-Backbone interact. energy: -0.335
local terms energy: -105.772816
where:
bonds (distance) C4'-P energy: -25.719
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -26.986
flat angles P-C4'-P energy: -12.551
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: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -265.874705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.874705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.874705 (E_RNA)
where:
Base-Base interactions energy: -168.351
where: short stacking energy: -88.008
Base-Backbone interact. energy: -0.230
local terms energy: -97.293902
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -22.252
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: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -238.795887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.795887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.795887 (E_RNA)
where:
Base-Base interactions energy: -143.054
where: short stacking energy: -72.631
Base-Backbone interact. energy: -0.458
local terms energy: -95.284716
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -231.688096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.688096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.688096 (E_RNA)
where:
Base-Base interactions energy: -143.521
where: short stacking energy: -65.028
Base-Backbone interact. energy: -0.142
local terms energy: -88.025021
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -28.549
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -11.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -112.129482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.129482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.129482 (E_RNA)
where:
Base-Base interactions energy: -40.557
where: short stacking energy: -34.507
Base-Backbone interact. energy: -0.375
local terms energy: -71.197626
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -2.202
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -364.977411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.977411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.977411 (E_RNA)
where:
Base-Base interactions energy: -240.788
where: short stacking energy: -103.113
Base-Backbone interact. energy: -0.554
local terms energy: -123.635495
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -26.868
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -27.082
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: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -359.803511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.803511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.803511 (E_RNA)
where:
Base-Base interactions energy: -238.382
where: short stacking energy: -114.544
Base-Backbone interact. energy: -0.007
local terms energy: -121.414230
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -35.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -307.679923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.679923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.679923 (E_RNA)
where:
Base-Base interactions energy: -193.990
where: short stacking energy: -95.217
Base-Backbone interact. energy: -0.336
local terms energy: -113.354535
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -20.711
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: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -309.310899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.310899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.310899 (E_RNA)
where:
Base-Base interactions energy: -197.549
where: short stacking energy: -93.597
Base-Backbone interact. energy: -0.084
local terms energy: -111.677884
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -25.532
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: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -301.755215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.755215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.755215 (E_RNA)
where:
Base-Base interactions energy: -198.400
where: short stacking energy: -92.650
Base-Backbone interact. energy: -0.838
local terms energy: -102.517208
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -26.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -283.744188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.744188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.744188 (E_RNA)
where:
Base-Base interactions energy: -177.191
where: short stacking energy: -92.680
Base-Backbone interact. energy: -0.115
local terms energy: -106.437748
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -25.956
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: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -261.123503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.123503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.123503 (E_RNA)
where:
Base-Base interactions energy: -164.548
where: short stacking energy: -64.065
Base-Backbone interact. energy: -0.200
local terms energy: -96.375441
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -202.574055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.574055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.574055 (E_RNA)
where:
Base-Base interactions energy: -123.574
where: short stacking energy: -38.077
Base-Backbone interact. energy: 1.140
local terms energy: -80.140135
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: 0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -230.043325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.043325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.043325 (E_RNA)
where:
Base-Base interactions energy: -142.176
where: short stacking energy: -56.532
Base-Backbone interact. energy: -0.962
local terms energy: -86.904689
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -113.784916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.784916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.784916 (E_RNA)
where:
Base-Base interactions energy: -48.355
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.361
local terms energy: -65.068454
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: 7.639
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: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -367.498776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.498776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.498776 (E_RNA)
where:
Base-Base interactions energy: -243.018
where: short stacking energy: -104.893
Base-Backbone interact. energy: -0.519
local terms energy: -123.961963
where:
bonds (distance) C4'-P energy: -26.901
bonds (distance) P-C4' energy: -26.094
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -26.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -354.832711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.832711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.832711 (E_RNA)
where:
Base-Base interactions energy: -226.871
where: short stacking energy: -109.133
Base-Backbone interact. energy: -0.627
local terms energy: -127.334600
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -21.387
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: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -310.685136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.685136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.685136 (E_RNA)
where:
Base-Base interactions energy: -190.724
where: short stacking energy: -95.934
Base-Backbone interact. energy: -0.802
local terms energy: -119.159798
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -28.288
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -24.723
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: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -304.206085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.206085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.206085 (E_RNA)
where:
Base-Base interactions energy: -196.285
where: short stacking energy: -93.616
Base-Backbone interact. energy: -0.096
local terms energy: -107.825121
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -283.949590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.949590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.949590 (E_RNA)
where:
Base-Base interactions energy: -192.783
where: short stacking energy: -83.751
Base-Backbone interact. energy: -0.392
local terms energy: -90.775086
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -13.550
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: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -258.494686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.494686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.494686 (E_RNA)
where:
Base-Base interactions energy: -162.584
where: short stacking energy: -76.224
Base-Backbone interact. energy: -0.098
local terms energy: -95.813044
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -13.206
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: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -258.044627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.044627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.044627 (E_RNA)
where:
Base-Base interactions energy: -156.816
where: short stacking energy: -72.751
Base-Backbone interact. energy: -1.204
local terms energy: -100.024835
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -243.183713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.183713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.183713 (E_RNA)
where:
Base-Base interactions energy: -147.604
where: short stacking energy: -72.192
Base-Backbone interact. energy: -0.971
local terms energy: -94.608703
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -217.951706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.951706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.951706 (E_RNA)
where:
Base-Base interactions energy: -136.983
where: short stacking energy: -49.741
Base-Backbone interact. energy: -0.318
local terms energy: -80.651213
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -116.587888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.587888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.587888 (E_RNA)
where:
Base-Base interactions energy: -38.212
where: short stacking energy: -30.439
Base-Backbone interact. energy: -0.588
local terms energy: -77.787582
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: 2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -367.563195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.563195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.563195 (E_RNA)
where:
Base-Base interactions energy: -244.727
where: short stacking energy: -114.954
Base-Backbone interact. energy: 1.292
local terms energy: -124.128491
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -21.129
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: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -351.800976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.800976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.800976 (E_RNA)
where:
Base-Base interactions energy: -236.343
where: short stacking energy: -96.363
Base-Backbone interact. energy: -1.204
local terms energy: -114.254351
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -24.362
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: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -334.527654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.527654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.527654 (E_RNA)
where:
Base-Base interactions energy: -210.853
where: short stacking energy: -114.871
Base-Backbone interact. energy: -0.001
local terms energy: -123.673081
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -34.743
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: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -298.343304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.343304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.343304 (E_RNA)
where:
Base-Base interactions energy: -190.586
where: short stacking energy: -87.782
Base-Backbone interact. energy: -0.265
local terms energy: -107.491980
where:
bonds (distance) C4'-P energy: -26.146
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -293.878167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.878167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.878167 (E_RNA)
where:
Base-Base interactions energy: -194.488
where: short stacking energy: -84.656
Base-Backbone interact. energy: -1.350
local terms energy: -98.040314
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -271.483382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.483382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.483382 (E_RNA)
where:
Base-Base interactions energy: -167.817
where: short stacking energy: -73.612
Base-Backbone interact. energy: -0.540
local terms energy: -103.126723
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -15.122
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: 7, replica: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -270.732307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.732307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.732307 (E_RNA)
where:
Base-Base interactions energy: -168.226
where: short stacking energy: -79.415
Base-Backbone interact. energy: -0.556
local terms energy: -101.950832
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -16.886
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: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -243.671588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.671588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.671588 (E_RNA)
where:
Base-Base interactions energy: -165.812
where: short stacking energy: -70.629
Base-Backbone interact. energy: -2.535
local terms energy: -75.324985
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -16.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -207.635189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.635189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.635189 (E_RNA)
where:
Base-Base interactions energy: -117.905
where: short stacking energy: -58.404
Base-Backbone interact. energy: -0.321
local terms energy: -89.409212
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -15.413
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: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -123.460790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.460790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.460790 (E_RNA)
where:
Base-Base interactions energy: -40.176
where: short stacking energy: -36.334
Base-Backbone interact. energy: -0.989
local terms energy: -82.296105
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -21.893
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: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -365.936924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.936924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.936924 (E_RNA)
where:
Base-Base interactions energy: -236.876
where: short stacking energy: -114.531
Base-Backbone interact. energy: -0.017
local terms energy: -129.043821
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -28.142
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -37.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -356.688860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.688860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.688860 (E_RNA)
where:
Base-Base interactions energy: -240.148
where: short stacking energy: -109.162
Base-Backbone interact. energy: -0.035
local terms energy: -116.506067
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -30.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -316.916346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.916346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.916346 (E_RNA)
where:
Base-Base interactions energy: -196.852
where: short stacking energy: -88.138
Base-Backbone interact. energy: -1.192
local terms energy: -118.872841
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -18.175
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: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -326.007504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.007504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.007504 (E_RNA)
where:
Base-Base interactions energy: -205.086
where: short stacking energy: -102.503
Base-Backbone interact. energy: -0.767
local terms energy: -120.155470
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -27.498
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: 337
Temperature: 1.100000
Total energy: -278.865836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.865836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.865836 (E_RNA)
where:
Base-Base interactions energy: -177.344
where: short stacking energy: -87.126
Base-Backbone interact. energy: -0.248
local terms energy: -101.272842
where:
bonds (distance) C4'-P energy: -25.142
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -22.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -277.226755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.226755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.226755 (E_RNA)
where:
Base-Base interactions energy: -176.056
where: short stacking energy: -87.633
Base-Backbone interact. energy: -0.112
local terms energy: -101.059062
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -28.162
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: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -248.439445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.439445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.439445 (E_RNA)
where:
Base-Base interactions energy: -149.008
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.821
local terms energy: -98.610245
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -254.119943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.119943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.119943 (E_RNA)
where:
Base-Base interactions energy: -172.888
where: short stacking energy: -66.468
Base-Backbone interact. energy: -2.438
local terms energy: -78.794289
where:
bonds (distance) C4'-P energy: -6.463
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -15.418
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: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -201.780645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.780645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.780645 (E_RNA)
where:
Base-Base interactions energy: -120.072
where: short stacking energy: -52.575
Base-Backbone interact. energy: -0.718
local terms energy: -80.991225
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -18.364
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: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -110.772369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.772369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.772369 (E_RNA)
where:
Base-Base interactions energy: -41.038
where: short stacking energy: -37.277
Base-Backbone interact. energy: 0.951
local terms energy: -70.685072
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -4.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -375.998911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.998911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.998911 (E_RNA)
where:
Base-Base interactions energy: -237.787
where: short stacking energy: -113.809
Base-Backbone interact. energy: -0.011
local terms energy: -138.200906
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -29.937
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -36.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -352.612788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.612788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.612788 (E_RNA)
where:
Base-Base interactions energy: -234.749
where: short stacking energy: -95.580
Base-Backbone interact. energy: 0.385
local terms energy: -118.248338
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -31.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -318.031686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.031686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.031686 (E_RNA)
where:
Base-Base interactions energy: -205.924
where: short stacking energy: -92.578
Base-Backbone interact. energy: -0.168
local terms energy: -111.939699
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -26.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -302.589600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.589600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.589600 (E_RNA)
where:
Base-Base interactions energy: -194.177
where: short stacking energy: -80.632
Base-Backbone interact. energy: -0.411
local terms energy: -108.002168
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -28.004
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -13.800
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: 338
Temperature: 1.100000
Total energy: -288.957931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.957931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.957931 (E_RNA)
where:
Base-Base interactions energy: -187.365
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.042
local terms energy: -101.551408
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -25.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -271.054460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.054460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.054460 (E_RNA)
where:
Base-Base interactions energy: -163.323
where: short stacking energy: -78.569
Base-Backbone interact. energy: -0.393
local terms energy: -107.338394
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -263.589598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.589598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.589598 (E_RNA)
where:
Base-Base interactions energy: -165.842
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.657
local terms energy: -97.090019
where:
bonds (distance) C4'-P energy: -28.500
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -10.259
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: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -254.056018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.056018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.056018 (E_RNA)
where:
Base-Base interactions energy: -167.641
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.537
local terms energy: -85.878529
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -12.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -222.586322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.586322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.586322 (E_RNA)
where:
Base-Base interactions energy: -134.441
where: short stacking energy: -64.919
Base-Backbone interact. energy: -0.886
local terms energy: -87.260227
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -11.028
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: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -112.675594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.675594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.675594 (E_RNA)
where:
Base-Base interactions energy: -37.729
where: short stacking energy: -35.258
Base-Backbone interact. energy: -0.798
local terms energy: -74.149129
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -374.879907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.879907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.879907 (E_RNA)
where:
Base-Base interactions energy: -242.856
where: short stacking energy: -113.658
Base-Backbone interact. energy: -0.683
local terms energy: -131.340820
where:
bonds (distance) C4'-P energy: -25.941
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -38.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -330.378924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.378924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.378924 (E_RNA)
where:
Base-Base interactions energy: -216.904
where: short stacking energy: -91.099
Base-Backbone interact. energy: 0.031
local terms energy: -113.505964
where:
bonds (distance) C4'-P energy: -23.929
bonds (distance) P-C4' energy: -24.993
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -363.179719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.179719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.179719 (E_RNA)
where:
Base-Base interactions energy: -242.886
where: short stacking energy: -104.691
Base-Backbone interact. energy: -0.020
local terms energy: -120.273719
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -32.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -282.781806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.781806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.781806 (E_RNA)
where:
Base-Base interactions energy: -185.766
where: short stacking energy: -82.283
Base-Backbone interact. energy: -0.104
local terms energy: -96.912499
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -11.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -298.757186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.757186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.757186 (E_RNA)
where:
Base-Base interactions energy: -191.766
where: short stacking energy: -94.855
Base-Backbone interact. energy: -0.940
local terms energy: -106.050788
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -23.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -249.994726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.994726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.994726 (E_RNA)
where:
Base-Base interactions energy: -154.223
where: short stacking energy: -60.280
Base-Backbone interact. energy: -0.897
local terms energy: -94.875412
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -253.459501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.459501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.459501 (E_RNA)
where:
Base-Base interactions energy: -160.481
where: short stacking energy: -77.770
Base-Backbone interact. energy: -0.348
local terms energy: -92.630978
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -255.762045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.762045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.762045 (E_RNA)
where:
Base-Base interactions energy: -158.883
where: short stacking energy: -69.809
Base-Backbone interact. energy: -0.120
local terms energy: -96.759171
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -26.244
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -242.604002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.604002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.604002 (E_RNA)
where:
Base-Base interactions energy: -160.740
where: short stacking energy: -66.625
Base-Backbone interact. energy: -0.150
local terms energy: -81.714287
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -116.830651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.830651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.830651 (E_RNA)
where:
Base-Base interactions energy: -41.127
where: short stacking energy: -41.127
Base-Backbone interact. energy: -0.208
local terms energy: -75.496299
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -25.634
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -376.095907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.095907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.095907 (E_RNA)
where:
Base-Base interactions energy: -242.462
where: short stacking energy: -109.170
Base-Backbone interact. energy: -0.577
local terms energy: -133.056566
where:
bonds (distance) C4'-P energy: -27.265
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -27.067
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -32.183
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: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -328.580007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.580007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.580007 (E_RNA)
where:
Base-Base interactions energy: -214.466
where: short stacking energy: -88.106
Base-Backbone interact. energy: -0.090
local terms energy: -114.023919
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -26.410
flat angles P-C4'-P energy: -19.238
tors. eta vs tors. theta energy: -25.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -341.380192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.380192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.380192 (E_RNA)
where:
Base-Base interactions energy: -230.961
where: short stacking energy: -94.965
Base-Backbone interact. energy: -0.932
local terms energy: -109.486332
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -30.297
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: 340
Temperature: 1.050000
Total energy: -285.057317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.057317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.057317 (E_RNA)
where:
Base-Base interactions energy: -182.676
where: short stacking energy: -78.196
Base-Backbone interact. energy: -0.226
local terms energy: -102.155009
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -24.785
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -281.414221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.414221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.414221 (E_RNA)
where:
Base-Base interactions energy: -183.689
where: short stacking energy: -83.418
Base-Backbone interact. energy: -0.419
local terms energy: -97.306323
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -261.392249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.392249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.392249 (E_RNA)
where:
Base-Base interactions energy: -165.652
where: short stacking energy: -83.390
Base-Backbone interact. energy: -0.018
local terms energy: -95.721553
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -18.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -273.597362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.597362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.597362 (E_RNA)
where:
Base-Base interactions energy: -163.530
where: short stacking energy: -78.183
Base-Backbone interact. energy: 0.318
local terms energy: -110.385801
where:
bonds (distance) C4'-P energy: -25.227
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -243.118725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.118725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.118725 (E_RNA)
where:
Base-Base interactions energy: -158.625
where: short stacking energy: -64.028
Base-Backbone interact. energy: 0.489
local terms energy: -84.982773
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -249.809169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.809169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.809169 (E_RNA)
where:
Base-Base interactions energy: -157.380
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.186
local terms energy: -92.243650
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -113.448499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.448499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.448499 (E_RNA)
where:
Base-Base interactions energy: -40.904
where: short stacking energy: -37.472
Base-Backbone interact. energy: 0.993
local terms energy: -73.537103
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -366.200654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.200654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.200654 (E_RNA)
where:
Base-Base interactions energy: -237.223
where: short stacking energy: -113.147
Base-Backbone interact. energy: -0.345
local terms energy: -128.632836
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -25.236
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -35.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -349.158008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.158008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.158008 (E_RNA)
where:
Base-Base interactions energy: -228.051
where: short stacking energy: -100.068
Base-Backbone interact. energy: 1.276
local terms energy: -122.382543
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -33.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -321.403999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.403999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.403999 (E_RNA)
where:
Base-Base interactions energy: -207.731
where: short stacking energy: -98.555
Base-Backbone interact. energy: -0.734
local terms energy: -112.938813
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -26.018
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: -27.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -302.878317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.878317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.878317 (E_RNA)
where:
Base-Base interactions energy: -198.942
where: short stacking energy: -84.915
Base-Backbone interact. energy: -0.298
local terms energy: -103.638157
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -282.287527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.287527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.287527 (E_RNA)
where:
Base-Base interactions energy: -177.864
where: short stacking energy: -86.430
Base-Backbone interact. energy: -0.663
local terms energy: -103.761315
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -27.085
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -271.145538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.145538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.145538 (E_RNA)
where:
Base-Base interactions energy: -173.174
where: short stacking energy: -63.413
Base-Backbone interact. energy: 1.009
local terms energy: -98.980465
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -260.385496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.385496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.385496 (E_RNA)
where:
Base-Base interactions energy: -166.292
where: short stacking energy: -69.280
Base-Backbone interact. energy: -1.098
local terms energy: -92.994961
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -245.040404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.040404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.040404 (E_RNA)
where:
Base-Base interactions energy: -147.831
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.453
local terms energy: -96.756437
where:
bonds (distance) C4'-P energy: -22.884
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -242.476552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.476552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.476552 (E_RNA)
where:
Base-Base interactions energy: -153.084
where: short stacking energy: -69.620
Base-Backbone interact. energy: -0.328
local terms energy: -89.064131
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -18.310
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: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -120.861892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.861892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.861892 (E_RNA)
where:
Base-Base interactions energy: -42.707
where: short stacking energy: -32.383
Base-Backbone interact. energy: -0.655
local terms energy: -77.499737
where:
bonds (distance) C4'-P energy: -26.405
bonds (distance) P-C4' energy: -25.294
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -361.137346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.137346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.137346 (E_RNA)
where:
Base-Base interactions energy: -231.418
where: short stacking energy: -99.912
Base-Backbone interact. energy: -0.419
local terms energy: -129.301118
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -33.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -357.255612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.255612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.255612 (E_RNA)
where:
Base-Base interactions energy: -237.798
where: short stacking energy: -104.851
Base-Backbone interact. energy: -0.416
local terms energy: -119.041057
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -29.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -316.580777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.580777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.580777 (E_RNA)
where:
Base-Base interactions energy: -203.506
where: short stacking energy: -93.279
Base-Backbone interact. energy: -0.042
local terms energy: -113.032144
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -17.765
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: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -295.867662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.867662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.867662 (E_RNA)
where:
Base-Base interactions energy: -190.903
where: short stacking energy: -81.108
Base-Backbone interact. energy: -0.096
local terms energy: -104.868724
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -17.941
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -274.996207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.996207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.996207 (E_RNA)
where:
Base-Base interactions energy: -169.214
where: short stacking energy: -80.775
Base-Backbone interact. energy: -0.516
local terms energy: -105.266844
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -281.855171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.855171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.855171 (E_RNA)
where:
Base-Base interactions energy: -179.909
where: short stacking energy: -88.925
Base-Backbone interact. energy: -1.282
local terms energy: -100.663431
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -15.011
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: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -245.558164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.558164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.558164 (E_RNA)
where:
Base-Base interactions energy: -154.819
where: short stacking energy: -74.122
Base-Backbone interact. energy: -1.133
local terms energy: -89.607026
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -23.283
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: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -250.543438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.543438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.543438 (E_RNA)
where:
Base-Base interactions energy: -156.574
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.125
local terms energy: -93.843873
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -13.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -122.807913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.807913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.807913 (E_RNA)
where:
Base-Base interactions energy: -50.733
where: short stacking energy: -45.043
Base-Backbone interact. energy: -0.237
local terms energy: -71.837392
where:
bonds (distance) C4'-P energy: -20.820
bonds (distance) P-C4' energy: -25.167
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -249.573322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.573322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.573322 (E_RNA)
where:
Base-Base interactions energy: -168.380
where: short stacking energy: -72.182
Base-Backbone interact. energy: -0.285
local terms energy: -80.908435
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -362.415205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.415205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.415205 (E_RNA)
where:
Base-Base interactions energy: -232.383
where: short stacking energy: -107.983
Base-Backbone interact. energy: -1.176
local terms energy: -128.856256
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -26.129
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -35.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -347.765196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.765196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.765196 (E_RNA)
where:
Base-Base interactions energy: -228.428
where: short stacking energy: -99.466
Base-Backbone interact. energy: -0.359
local terms energy: -118.977613
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -28.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -324.733124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.733124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.733124 (E_RNA)
where:
Base-Base interactions energy: -204.356
where: short stacking energy: -99.051
Base-Backbone interact. energy: 0.018
local terms energy: -120.395386
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -24.264
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: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -318.322793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.322793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.322793 (E_RNA)
where:
Base-Base interactions energy: -202.840
where: short stacking energy: -98.530
Base-Backbone interact. energy: -0.116
local terms energy: -115.366727
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: -23.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -277.159498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.159498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.159498 (E_RNA)
where:
Base-Base interactions energy: -179.314
where: short stacking energy: -74.037
Base-Backbone interact. energy: -1.304
local terms energy: -96.541223
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -242.994824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.994824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.994824 (E_RNA)
where:
Base-Base interactions energy: -138.836
where: short stacking energy: -67.197
Base-Backbone interact. energy: -0.880
local terms energy: -103.279759
where:
bonds (distance) C4'-P energy: -25.266
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -250.921990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.921990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.921990 (E_RNA)
where:
Base-Base interactions energy: -153.355
where: short stacking energy: -74.135
Base-Backbone interact. energy: -1.261
local terms energy: -96.305981
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -253.135859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.135859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.135859 (E_RNA)
where:
Base-Base interactions energy: -150.196
where: short stacking energy: -72.139
Base-Backbone interact. energy: -0.211
local terms energy: -102.728863
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -19.545
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -114.557630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.557630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.557630 (E_RNA)
where:
Base-Base interactions energy: -33.771
where: short stacking energy: -33.214
Base-Backbone interact. energy: -0.284
local terms energy: -80.502033
where:
bonds (distance) C4'-P energy: -22.483
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -233.991050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.991050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.991050 (E_RNA)
where:
Base-Base interactions energy: -154.706
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.168
local terms energy: -79.116954
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -14.142
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: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -365.170602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.170602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.170602 (E_RNA)
where:
Base-Base interactions energy: -238.883
where: short stacking energy: -115.068
Base-Backbone interact. energy: -0.127
local terms energy: -126.160894
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -31.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -357.702397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.702397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.702397 (E_RNA)
where:
Base-Base interactions energy: -232.073
where: short stacking energy: -105.631
Base-Backbone interact. energy: -0.015
local terms energy: -125.614209
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -33.750
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: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -313.381581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.381581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.381581 (E_RNA)
where:
Base-Base interactions energy: -195.273
where: short stacking energy: -91.520
Base-Backbone interact. energy: -0.216
local terms energy: -117.892421
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -19.925
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: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -291.381800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.381800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.381800 (E_RNA)
where:
Base-Base interactions energy: -191.700
where: short stacking energy: -78.964
Base-Backbone interact. energy: -0.233
local terms energy: -99.448788
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -290.619037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.619037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.619037 (E_RNA)
where:
Base-Base interactions energy: -184.896
where: short stacking energy: -82.619
Base-Backbone interact. energy: -0.083
local terms energy: -105.639962
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -12.523
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: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -235.758008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.758008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.758008 (E_RNA)
where:
Base-Base interactions energy: -152.672
where: short stacking energy: -72.389
Base-Backbone interact. energy: -0.130
local terms energy: -82.955421
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -13.637
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: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -239.148115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.148115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.148115 (E_RNA)
where:
Base-Base interactions energy: -136.623
where: short stacking energy: -62.422
Base-Backbone interact. energy: 0.510
local terms energy: -103.034770
where:
bonds (distance) C4'-P energy: -26.428
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -13.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -229.763254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.763254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.763254 (E_RNA)
where:
Base-Base interactions energy: -138.404
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.485
local terms energy: -90.873583
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -232.688395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.688395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.688395 (E_RNA)
where:
Base-Base interactions energy: -142.966
where: short stacking energy: -59.414
Base-Backbone interact. energy: -0.063
local terms energy: -89.659616
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -8.892
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: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -124.492236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.492236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.492236 (E_RNA)
where:
Base-Base interactions energy: -45.168
where: short stacking energy: -36.181
Base-Backbone interact. energy: 0.026
local terms energy: -79.350959
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -358.417964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.417964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.417964 (E_RNA)
where:
Base-Base interactions energy: -233.841
where: short stacking energy: -111.956
Base-Backbone interact. energy: -2.253
local terms energy: -122.323385
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -29.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -326.905408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.905408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.905408 (E_RNA)
where:
Base-Base interactions energy: -204.676
where: short stacking energy: -102.104
Base-Backbone interact. energy: -0.674
local terms energy: -121.555738
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -347.013154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.013154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.013154 (E_RNA)
where:
Base-Base interactions energy: -228.060
where: short stacking energy: -110.460
Base-Backbone interact. energy: -0.016
local terms energy: -118.937590
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -30.398
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: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -309.336148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.336148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.336148 (E_RNA)
where:
Base-Base interactions energy: -203.093
where: short stacking energy: -97.125
Base-Backbone interact. energy: -0.465
local terms energy: -105.777412
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -23.890
flat angles P-C4'-P energy: -18.618
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: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -308.302705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.302705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.302705 (E_RNA)
where:
Base-Base interactions energy: -197.741
where: short stacking energy: -95.359
Base-Backbone interact. energy: -0.003
local terms energy: -110.558181
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -16.596
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: 6, replica: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -272.212690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.212690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.212690 (E_RNA)
where:
Base-Base interactions energy: -186.885
where: short stacking energy: -80.284
Base-Backbone interact. energy: -0.154
local terms energy: -85.173540
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -11.483
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: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -246.292049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.292049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.292049 (E_RNA)
where:
Base-Base interactions energy: -160.077
where: short stacking energy: -61.316
Base-Backbone interact. energy: -0.266
local terms energy: -85.949289
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -9.723
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: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -254.471578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.471578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.471578 (E_RNA)
where:
Base-Base interactions energy: -166.917
where: short stacking energy: -77.637
Base-Backbone interact. energy: -0.119
local terms energy: -87.435618
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -17.778
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: 345
Temperature: 1.300000
Total energy: -212.207051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.207051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.207051 (E_RNA)
where:
Base-Base interactions energy: -124.086
where: short stacking energy: -62.738
Base-Backbone interact. energy: -0.151
local terms energy: -87.970103
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -24.235
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -133.765349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.765349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.765349 (E_RNA)
where:
Base-Base interactions energy: -67.122
where: short stacking energy: -27.258
Base-Backbone interact. energy: -2.680
local terms energy: -63.963228
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: 8.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -368.510717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.510717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.510717 (E_RNA)
where:
Base-Base interactions energy: -236.732
where: short stacking energy: -110.971
Base-Backbone interact. energy: -0.088
local terms energy: -131.690396
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -27.363
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -33.982
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: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -335.090805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.090805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.090805 (E_RNA)
where:
Base-Base interactions energy: -211.160
where: short stacking energy: -103.877
Base-Backbone interact. energy: -0.110
local terms energy: -123.820544
where:
bonds (distance) C4'-P energy: -25.629
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -27.637
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -308.618690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.618690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.618690 (E_RNA)
where:
Base-Base interactions energy: -198.105
where: short stacking energy: -91.627
Base-Backbone interact. energy: -1.008
local terms energy: -109.505072
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -25.464
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -14.920
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: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -327.720651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.720651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.720651 (E_RNA)
where:
Base-Base interactions energy: -213.578
where: short stacking energy: -103.272
Base-Backbone interact. energy: -0.383
local terms energy: -113.759592
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -26.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -281.147807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.147807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.147807 (E_RNA)
where:
Base-Base interactions energy: -183.076
where: short stacking energy: -82.456
Base-Backbone interact. energy: 0.122
local terms energy: -98.194314
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -247.946017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.946017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.946017 (E_RNA)
where:
Base-Base interactions energy: -151.211
where: short stacking energy: -67.597
Base-Backbone interact. energy: -0.792
local terms energy: -95.942945
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -17.819
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: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -270.144309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.144309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.144309 (E_RNA)
where:
Base-Base interactions energy: -173.207
where: short stacking energy: -78.722
Base-Backbone interact. energy: 0.938
local terms energy: -97.874744
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -235.155206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.155206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.155206 (E_RNA)
where:
Base-Base interactions energy: -149.359
where: short stacking energy: -76.166
Base-Backbone interact. energy: -0.646
local terms energy: -85.150392
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -10.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -198.786521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.786521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.786521 (E_RNA)
where:
Base-Base interactions energy: -103.233
where: short stacking energy: -58.633
Base-Backbone interact. energy: -0.062
local terms energy: -95.491353
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -140.502460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.502460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.502460 (E_RNA)
where:
Base-Base interactions energy: -63.048
where: short stacking energy: -34.519
Base-Backbone interact. energy: -0.038
local terms energy: -77.416688
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: 3.208
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: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -367.815100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.815100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.815100 (E_RNA)
where:
Base-Base interactions energy: -250.422
where: short stacking energy: -105.936
Base-Backbone interact. energy: -0.202
local terms energy: -117.191736
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -27.707
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: -345.072713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.072713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.072713 (E_RNA)
where:
Base-Base interactions energy: -229.235
where: short stacking energy: -112.820
Base-Backbone interact. energy: -0.387
local terms energy: -115.450621
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -29.226
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -27.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -336.631660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.631660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.631660 (E_RNA)
where:
Base-Base interactions energy: -224.906
where: short stacking energy: -103.481
Base-Backbone interact. energy: -0.355
local terms energy: -111.370645
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -24.927
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -24.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -332.088911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.088911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.088911 (E_RNA)
where:
Base-Base interactions energy: -210.416
where: short stacking energy: -105.672
Base-Backbone interact. energy: -0.028
local terms energy: -121.645253
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -33.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -265.274585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.274585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.274585 (E_RNA)
where:
Base-Base interactions energy: -171.121
where: short stacking energy: -74.101
Base-Backbone interact. energy: 1.955
local terms energy: -96.108626
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -18.728
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: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -282.189706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.189706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.189706 (E_RNA)
where:
Base-Base interactions energy: -188.372
where: short stacking energy: -85.393
Base-Backbone interact. energy: -0.120
local terms energy: -93.697860
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -269.961087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.961087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.961087 (E_RNA)
where:
Base-Base interactions energy: -171.736
where: short stacking energy: -70.779
Base-Backbone interact. energy: -1.121
local terms energy: -97.103628
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -28.560
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -13.640
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: 347
Temperature: 1.250000
Total energy: -205.968312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.968312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.968312 (E_RNA)
where:
Base-Base interactions energy: -124.445
where: short stacking energy: -63.747
Base-Backbone interact. energy: -0.573
local terms energy: -80.949894
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -241.725575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.725575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.725575 (E_RNA)
where:
Base-Base interactions energy: -151.456
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.497
local terms energy: -89.772517
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -116.930772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.930772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.930772 (E_RNA)
where:
Base-Base interactions energy: -37.451
where: short stacking energy: -30.175
Base-Backbone interact. energy: -1.407
local terms energy: -78.073338
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: 2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -343.293927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.293927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.293927 (E_RNA)
where:
Base-Base interactions energy: -213.533
where: short stacking energy: -98.491
Base-Backbone interact. energy: -1.698
local terms energy: -128.062154
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -27.395
flat angles P-C4'-P energy: -22.517
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: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -353.251062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.251062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.251062 (E_RNA)
where:
Base-Base interactions energy: -232.177
where: short stacking energy: -102.704
Base-Backbone interact. energy: -0.164
local terms energy: -120.910323
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -25.418
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -33.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -340.411801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.411801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.411801 (E_RNA)
where:
Base-Base interactions energy: -222.360
where: short stacking energy: -100.664
Base-Backbone interact. energy: -0.071
local terms energy: -117.981339
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -28.807
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -31.585
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: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -307.322574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.322574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.322574 (E_RNA)
where:
Base-Base interactions energy: -194.753
where: short stacking energy: -87.886
Base-Backbone interact. energy: -0.338
local terms energy: -112.231760
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -23.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -268.766306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.766306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.766306 (E_RNA)
where:
Base-Base interactions energy: -168.202
where: short stacking energy: -89.011
Base-Backbone interact. energy: -0.952
local terms energy: -99.612043
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -13.490
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: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -281.403796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.403796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.403796 (E_RNA)
where:
Base-Base interactions energy: -176.271
where: short stacking energy: -85.755
Base-Backbone interact. energy: -0.250
local terms energy: -104.882423
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -24.953
flat angles P-C4'-P energy: -15.390
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: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -261.391869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.391869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.391869 (E_RNA)
where:
Base-Base interactions energy: -162.089
where: short stacking energy: -76.179
Base-Backbone interact. energy: -0.734
local terms energy: -98.568605
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -25.682
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -216.523049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.523049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.523049 (E_RNA)
where:
Base-Base interactions energy: -134.024
where: short stacking energy: -65.619
Base-Backbone interact. energy: -0.755
local terms energy: -81.744654
where:
bonds (distance) C4'-P energy: -21.921
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -223.054914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.054914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.054914 (E_RNA)
where:
Base-Base interactions energy: -154.101
where: short stacking energy: -69.970
Base-Backbone interact. energy: 1.317
local terms energy: -70.270693
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -7.392
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -114.132038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.132038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.132038 (E_RNA)
where:
Base-Base interactions energy: -40.040
where: short stacking energy: -29.592
Base-Backbone interact. energy: 0.028
local terms energy: -74.119556
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -27.893
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: 0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -333.822930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.822930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.822930 (E_RNA)
where:
Base-Base interactions energy: -210.759
where: short stacking energy: -100.699
Base-Backbone interact. energy: -0.118
local terms energy: -122.946088
where:
bonds (distance) C4'-P energy: -26.367
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -28.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -344.420930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.420930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.420930 (E_RNA)
where:
Base-Base interactions energy: -225.205
where: short stacking energy: -104.432
Base-Backbone interact. energy: -0.104
local terms energy: -119.112212
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -21.698
tors. eta vs tors. theta energy: -31.401
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: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -347.324451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.324451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.324451 (E_RNA)
where:
Base-Base interactions energy: -227.085
where: short stacking energy: -105.832
Base-Backbone interact. energy: 0.145
local terms energy: -120.384300
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -29.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -301.652434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.652434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.652434 (E_RNA)
where:
Base-Base interactions energy: -212.285
where: short stacking energy: -80.190
Base-Backbone interact. energy: -0.827
local terms energy: -88.540319
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -282.660547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.660547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.660547 (E_RNA)
where:
Base-Base interactions energy: -173.157
where: short stacking energy: -73.221
Base-Backbone interact. energy: -0.200
local terms energy: -109.303759
where:
bonds (distance) C4'-P energy: -25.543
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -19.502
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: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -259.188576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.188576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.188576 (E_RNA)
where:
Base-Base interactions energy: -161.895
where: short stacking energy: -79.588
Base-Backbone interact. energy: -0.506
local terms energy: -96.787386
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -250.282649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.282649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.282649 (E_RNA)
where:
Base-Base interactions energy: -171.887
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.629
local terms energy: -77.766971
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -9.925
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: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -246.724296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.724296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.724296 (E_RNA)
where:
Base-Base interactions energy: -159.327
where: short stacking energy: -71.539
Base-Backbone interact. energy: -0.747
local terms energy: -86.649837
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -11.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -211.622221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.622221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.622221 (E_RNA)
where:
Base-Base interactions energy: -134.490
where: short stacking energy: -66.740
Base-Backbone interact. energy: -0.677
local terms energy: -76.456082
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -8.298
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -12.847
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: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -123.635960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.635960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.635960 (E_RNA)
where:
Base-Base interactions energy: -51.632
where: short stacking energy: -50.719
Base-Backbone interact. energy: -0.105
local terms energy: -71.898642
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -374.226859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.226859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.226859 (E_RNA)
where:
Base-Base interactions energy: -244.121
where: short stacking energy: -110.973
Base-Backbone interact. energy: -0.598
local terms energy: -129.508118
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -38.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -338.418557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.418557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.418557 (E_RNA)
where:
Base-Base interactions energy: -216.160
where: short stacking energy: -103.415
Base-Backbone interact. energy: -0.067
local terms energy: -122.191438
where:
bonds (distance) C4'-P energy: -27.500
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -17.034
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: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -321.364536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.364536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.364536 (E_RNA)
where:
Base-Base interactions energy: -208.554
where: short stacking energy: -87.385
Base-Backbone interact. energy: -0.164
local terms energy: -112.645997
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -26.668
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: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -313.590019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.590019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.590019 (E_RNA)
where:
Base-Base interactions energy: -195.980
where: short stacking energy: -92.371
Base-Backbone interact. energy: -0.028
local terms energy: -117.581691
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -33.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -273.562573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.562573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.562573 (E_RNA)
where:
Base-Base interactions energy: -181.939
where: short stacking energy: -85.444
Base-Backbone interact. energy: -0.335
local terms energy: -91.288891
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -15.375
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: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -253.077200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.077200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.077200 (E_RNA)
where:
Base-Base interactions energy: -164.395
where: short stacking energy: -80.860
Base-Backbone interact. energy: 1.405
local terms energy: -90.087527
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -262.569643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.569643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.569643 (E_RNA)
where:
Base-Base interactions energy: -166.151
where: short stacking energy: -71.885
Base-Backbone interact. energy: -0.228
local terms energy: -96.190196
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -25.693
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -13.194
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: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -233.030365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.030365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.030365 (E_RNA)
where:
Base-Base interactions energy: -143.503
where: short stacking energy: -71.509
Base-Backbone interact. energy: -0.270
local terms energy: -89.258205
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -15.011
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: 350
Temperature: 1.300000
Total energy: -224.687976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.687976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.687976 (E_RNA)
where:
Base-Base interactions energy: -143.218
where: short stacking energy: -63.171
Base-Backbone interact. energy: -0.393
local terms energy: -81.077444
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -111.070199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.070199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.070199 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -25.202
Base-Backbone interact. energy: -0.371
local terms energy: -78.542386
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -3.777
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: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -377.318277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.318277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.318277 (E_RNA)
where:
Base-Base interactions energy: -249.471
where: short stacking energy: -114.351
Base-Backbone interact. energy: -0.428
local terms energy: -127.419128
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -27.213
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -33.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -344.454795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.454795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.454795 (E_RNA)
where:
Base-Base interactions energy: -233.514
where: short stacking energy: -91.880
Base-Backbone interact. energy: -0.302
local terms energy: -110.638887
where:
bonds (distance) C4'-P energy: -25.631
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -18.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -326.225170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.225170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.225170 (E_RNA)
where:
Base-Base interactions energy: -213.032
where: short stacking energy: -110.733
Base-Backbone interact. energy: -0.099
local terms energy: -113.094132
where:
bonds (distance) C4'-P energy: -24.711
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -28.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -314.799015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.799015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.799015 (E_RNA)
where:
Base-Base interactions energy: -191.861
where: short stacking energy: -88.739
Base-Backbone interact. energy: -0.547
local terms energy: -122.391191
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -26.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -259.693851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.693851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.693851 (E_RNA)
where:
Base-Base interactions energy: -162.577
where: short stacking energy: -68.051
Base-Backbone interact. energy: 0.934
local terms energy: -98.051067
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -267.291928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.291928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.291928 (E_RNA)
where:
Base-Base interactions energy: -167.071
where: short stacking energy: -71.856
Base-Backbone interact. energy: -0.015
local terms energy: -100.205209
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -23.085
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -198.103045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.103045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.103045 (E_RNA)
where:
Base-Base interactions energy: -128.685
where: short stacking energy: -60.007
Base-Backbone interact. energy: -1.630
local terms energy: -67.787147
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -249.725680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.725680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.725680 (E_RNA)
where:
Base-Base interactions energy: -164.124
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.233
local terms energy: -85.368491
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -14.664
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: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -241.405133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.405133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.405133 (E_RNA)
where:
Base-Base interactions energy: -151.758
where: short stacking energy: -72.460
Base-Backbone interact. energy: 3.366
local terms energy: -93.013537
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -16.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -116.693045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.693045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.693045 (E_RNA)
where:
Base-Base interactions energy: -34.485
where: short stacking energy: -23.587
Base-Backbone interact. energy: -1.265
local terms energy: -80.942596
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: 0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -383.067674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.067674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.067674 (E_RNA)
where:
Base-Base interactions energy: -257.274
where: short stacking energy: -127.192
Base-Backbone interact. energy: -0.041
local terms energy: -125.753068
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -37.990
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: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -354.264640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.264640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.264640 (E_RNA)
where:
Base-Base interactions energy: -226.716
where: short stacking energy: -106.004
Base-Backbone interact. energy: -0.037
local terms energy: -127.511930
where:
bonds (distance) C4'-P energy: -25.021
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -20.028
tors. eta vs tors. theta energy: -29.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -313.616293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.616293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.616293 (E_RNA)
where:
Base-Base interactions energy: -199.129
where: short stacking energy: -93.324
Base-Backbone interact. energy: 0.028
local terms energy: -114.515602
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -23.583
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: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -314.305376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.305376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.305376 (E_RNA)
where:
Base-Base interactions energy: -203.268
where: short stacking energy: -98.474
Base-Backbone interact. energy: -1.144
local terms energy: -109.893777
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -21.700
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: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -281.140279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.140279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.140279 (E_RNA)
where:
Base-Base interactions energy: -178.181
where: short stacking energy: -87.440
Base-Backbone interact. energy: -0.206
local terms energy: -102.753734
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -10.398
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: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -291.350565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.350565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.350565 (E_RNA)
where:
Base-Base interactions energy: -188.244
where: short stacking energy: -79.971
Base-Backbone interact. energy: -0.956
local terms energy: -102.150050
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -26.831
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -260.519117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.519117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.519117 (E_RNA)
where:
Base-Base interactions energy: -168.010
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.387
local terms energy: -92.122799
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -19.215
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: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -214.252567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.252567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.252567 (E_RNA)
where:
Base-Base interactions energy: -130.275
where: short stacking energy: -56.068
Base-Backbone interact. energy: -0.296
local terms energy: -83.681757
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -233.730774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.730774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.730774 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.195
local terms energy: -99.947149
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -103.818899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.818899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.818899 (E_RNA)
where:
Base-Base interactions energy: -37.406
where: short stacking energy: -28.294
Base-Backbone interact. energy: -1.052
local terms energy: -65.360698
where:
bonds (distance) C4'-P energy: -22.666
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: 4.092
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: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -398.922081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.922081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.922081 (E_RNA)
where:
Base-Base interactions energy: -256.122
where: short stacking energy: -116.735
Base-Backbone interact. energy: -0.096
local terms energy: -142.704772
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -29.868
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -39.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -361.607074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.607074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.607074 (E_RNA)
where:
Base-Base interactions energy: -235.196
where: short stacking energy: -108.081
Base-Backbone interact. energy: -0.328
local terms energy: -126.082900
where:
bonds (distance) C4'-P energy: -23.217
bonds (distance) P-C4' energy: -27.657
flat angles C4'-P-C4' energy: -26.843
flat angles P-C4'-P energy: -19.392
tors. eta vs tors. theta energy: -28.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -315.207622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.207622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.207622 (E_RNA)
where:
Base-Base interactions energy: -199.493
where: short stacking energy: -94.982
Base-Backbone interact. energy: 0.022
local terms energy: -115.736908
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -328.938028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.938028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.938028 (E_RNA)
where:
Base-Base interactions energy: -202.240
where: short stacking energy: -95.016
Base-Backbone interact. energy: -1.587
local terms energy: -125.111356
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -30.521
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -26.082
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: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -302.234278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.234278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.234278 (E_RNA)
where:
Base-Base interactions energy: -196.337
where: short stacking energy: -79.248
Base-Backbone interact. energy: -0.573
local terms energy: -105.324335
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -27.465
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -266.901875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.901875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.901875 (E_RNA)
where:
Base-Base interactions energy: -163.306
where: short stacking energy: -73.075
Base-Backbone interact. energy: -0.254
local terms energy: -103.342306
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -282.888111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.888111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.888111 (E_RNA)
where:
Base-Base interactions energy: -185.957
where: short stacking energy: -88.447
Base-Backbone interact. energy: 1.220
local terms energy: -98.150890
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -253.437631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.437631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.437631 (E_RNA)
where:
Base-Base interactions energy: -155.670
where: short stacking energy: -75.038
Base-Backbone interact. energy: -0.930
local terms energy: -96.837563
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -242.101952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.101952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.101952 (E_RNA)
where:
Base-Base interactions energy: -151.261
where: short stacking energy: -63.373
Base-Backbone interact. energy: 3.012
local terms energy: -93.853733
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -25.403
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -12.681
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: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -107.056558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.056558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.056558 (E_RNA)
where:
Base-Base interactions energy: -41.687
where: short stacking energy: -28.620
Base-Backbone interact. energy: -0.643
local terms energy: -64.726407
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: 8.599
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: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -386.240814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.240814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.240814 (E_RNA)
where:
Base-Base interactions energy: -253.259
where: short stacking energy: -115.696
Base-Backbone interact. energy: 0.053
local terms energy: -133.034560
where:
bonds (distance) C4'-P energy: -26.848
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -26.303
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -35.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -334.390351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.390351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.390351 (E_RNA)
where:
Base-Base interactions energy: -212.744
where: short stacking energy: -109.610
Base-Backbone interact. energy: -0.061
local terms energy: -121.584934
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -30.065
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: 354
Temperature: 1.000000
Total energy: -330.792186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.792186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.792186 (E_RNA)
where:
Base-Base interactions energy: -212.559
where: short stacking energy: -107.479
Base-Backbone interact. energy: -0.276
local terms energy: -117.957059
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -25.437
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: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -295.137421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.137421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.137421 (E_RNA)
where:
Base-Base interactions energy: -195.253
where: short stacking energy: -95.746
Base-Backbone interact. energy: 1.119
local terms energy: -101.004031
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -30.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -284.202233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.202233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.202233 (E_RNA)
where:
Base-Base interactions energy: -175.313
where: short stacking energy: -92.280
Base-Backbone interact. energy: -0.346
local terms energy: -108.542480
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -294.543766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.543766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.543766 (E_RNA)
where:
Base-Base interactions energy: -197.661
where: short stacking energy: -88.222
Base-Backbone interact. energy: -0.205
local terms energy: -96.678363
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -25.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -265.097861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.097861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.097861 (E_RNA)
where:
Base-Base interactions energy: -170.008
where: short stacking energy: -69.301
Base-Backbone interact. energy: 0.773
local terms energy: -95.863476
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -25.997
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -17.172
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: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -253.707270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.707270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.707270 (E_RNA)
where:
Base-Base interactions energy: -161.133
where: short stacking energy: -74.961
Base-Backbone interact. energy: -0.140
local terms energy: -92.434335
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -11.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -251.714130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.714130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.714130 (E_RNA)
where:
Base-Base interactions energy: -154.920
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.460
local terms energy: -96.333503
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: -11.021
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: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -118.509577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.509577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.509577 (E_RNA)
where:
Base-Base interactions energy: -53.247
where: short stacking energy: -26.382
Base-Backbone interact. energy: 2.163
local terms energy: -67.425648
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: 1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -377.357610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.357610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.357610 (E_RNA)
where:
Base-Base interactions energy: -248.565
where: short stacking energy: -113.514
Base-Backbone interact. energy: -0.186
local terms energy: -128.606252
where:
bonds (distance) C4'-P energy: -24.136
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -26.355
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -34.531
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: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -342.012434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.012434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.012434 (E_RNA)
where:
Base-Base interactions energy: -213.212
where: short stacking energy: -107.930
Base-Backbone interact. energy: -0.313
local terms energy: -128.487813
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -30.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -316.249251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.249251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.249251 (E_RNA)
where:
Base-Base interactions energy: -199.190
where: short stacking energy: -86.260
Base-Backbone interact. energy: -0.188
local terms energy: -116.871752
where:
bonds (distance) C4'-P energy: -26.804
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -21.430
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: 355
Temperature: 1.050000
Total energy: -278.687486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.687486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.687486 (E_RNA)
where:
Base-Base interactions energy: -174.163
where: short stacking energy: -84.577
Base-Backbone interact. energy: 0.079
local terms energy: -104.603737
where:
bonds (distance) C4'-P energy: -27.236
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -315.664141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.664141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.664141 (E_RNA)
where:
Base-Base interactions energy: -210.969
where: short stacking energy: -88.749
Base-Backbone interact. energy: -0.022
local terms energy: -104.673381
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -295.991929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.991929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.991929 (E_RNA)
where:
Base-Base interactions energy: -192.220
where: short stacking energy: -101.402
Base-Backbone interact. energy: -0.028
local terms energy: -103.744322
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -25.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -280.776716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.776716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.776716 (E_RNA)
where:
Base-Base interactions energy: -175.660
where: short stacking energy: -83.142
Base-Backbone interact. energy: 1.313
local terms energy: -106.429292
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -258.342206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.342206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.342206 (E_RNA)
where:
Base-Base interactions energy: -162.789
where: short stacking energy: -74.479
Base-Backbone interact. energy: -0.554
local terms energy: -94.998607
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -241.850234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.850234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.850234 (E_RNA)
where:
Base-Base interactions energy: -157.350
where: short stacking energy: -73.628
Base-Backbone interact. energy: -0.209
local terms energy: -84.291507
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -123.023742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.023742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.023742 (E_RNA)
where:
Base-Base interactions energy: -45.010
where: short stacking energy: -45.010
Base-Backbone interact. energy: -0.341
local terms energy: -77.673355
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: 0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -373.529950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.529950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.529950 (E_RNA)
where:
Base-Base interactions energy: -246.280
where: short stacking energy: -109.968
Base-Backbone interact. energy: -0.071
local terms energy: -127.178896
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -27.620
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -31.397
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: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -322.779615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.779615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.779615 (E_RNA)
where:
Base-Base interactions energy: -200.092
where: short stacking energy: -104.311
Base-Backbone interact. energy: -0.345
local terms energy: -122.343204
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -30.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -303.861398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.861398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.861398 (E_RNA)
where:
Base-Base interactions energy: -190.816
where: short stacking energy: -94.424
Base-Backbone interact. energy: -0.052
local terms energy: -112.993701
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -17.620
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: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -303.337600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.337600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.337600 (E_RNA)
where:
Base-Base interactions energy: -200.285
where: short stacking energy: -92.130
Base-Backbone interact. energy: -0.197
local terms energy: -102.855887
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -22.773
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -21.529
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: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -297.993556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.993556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.993556 (E_RNA)
where:
Base-Base interactions energy: -197.921
where: short stacking energy: -92.447
Base-Backbone interact. energy: 0.737
local terms energy: -100.809977
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -14.426
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: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -280.978505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.978505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.978505 (E_RNA)
where:
Base-Base interactions energy: -168.710
where: short stacking energy: -87.335
Base-Backbone interact. energy: -0.658
local terms energy: -111.611158
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -22.849
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: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -244.467210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.467210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.467210 (E_RNA)
where:
Base-Base interactions energy: -151.883
where: short stacking energy: -60.402
Base-Backbone interact. energy: -0.104
local terms energy: -92.480306
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -250.144626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.144626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.144626 (E_RNA)
where:
Base-Base interactions energy: -149.394
where: short stacking energy: -67.176
Base-Backbone interact. energy: 0.001
local terms energy: -100.751532
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -243.839232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.839232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.839232 (E_RNA)
where:
Base-Base interactions energy: -145.840
where: short stacking energy: -73.190
Base-Backbone interact. energy: -0.441
local terms energy: -97.558661
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -113.953756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.953756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.953756 (E_RNA)
where:
Base-Base interactions energy: -43.618
where: short stacking energy: -38.313
Base-Backbone interact. energy: 0.048
local terms energy: -70.384313
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -370.613884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.613884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.613884 (E_RNA)
where:
Base-Base interactions energy: -236.387
where: short stacking energy: -127.216
Base-Backbone interact. energy: -0.592
local terms energy: -133.635539
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -38.649
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: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -332.552909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.552909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.552909 (E_RNA)
where:
Base-Base interactions energy: -212.323
where: short stacking energy: -104.267
Base-Backbone interact. energy: -0.182
local terms energy: -120.048471
where:
bonds (distance) C4'-P energy: -24.184
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -19.823
tors. eta vs tors. theta energy: -24.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -296.696274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.696274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.696274 (E_RNA)
where:
Base-Base interactions energy: -189.782
where: short stacking energy: -82.671
Base-Backbone interact. energy: -0.444
local terms energy: -106.469824
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -22.470
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -308.312170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.312170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.312170 (E_RNA)
where:
Base-Base interactions energy: -203.322
where: short stacking energy: -93.475
Base-Backbone interact. energy: -0.210
local terms energy: -104.779981
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -271.043580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.043580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.043580 (E_RNA)
where:
Base-Base interactions energy: -174.845
where: short stacking energy: -82.330
Base-Backbone interact. energy: -0.367
local terms energy: -95.832135
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -280.917475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.917475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.917475 (E_RNA)
where:
Base-Base interactions energy: -180.040
where: short stacking energy: -90.377
Base-Backbone interact. energy: -0.879
local terms energy: -99.998076
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -15.798
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: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -265.397251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.397251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.397251 (E_RNA)
where:
Base-Base interactions energy: -171.983
where: short stacking energy: -67.318
Base-Backbone interact. energy: -0.675
local terms energy: -92.739463
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -239.714184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.714184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.714184 (E_RNA)
where:
Base-Base interactions energy: -140.211
where: short stacking energy: -59.562
Base-Backbone interact. energy: -0.311
local terms energy: -99.192087
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -16.510
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: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -242.291360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.291360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.291360 (E_RNA)
where:
Base-Base interactions energy: -159.047
where: short stacking energy: -69.563
Base-Backbone interact. energy: -0.288
local terms energy: -82.956051
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -115.504380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.504380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.504380 (E_RNA)
where:
Base-Base interactions energy: -34.037
where: short stacking energy: -34.037
Base-Backbone interact. energy: -0.104
local terms energy: -81.362521
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -18.269
tors. eta vs tors. theta energy: -6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -373.584420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.584420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.584420 (E_RNA)
where:
Base-Base interactions energy: -241.339
where: short stacking energy: -114.027
Base-Backbone interact. energy: -0.614
local terms energy: -131.631711
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -34.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -326.488810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.488810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.488810 (E_RNA)
where:
Base-Base interactions energy: -206.594
where: short stacking energy: -97.359
Base-Backbone interact. energy: -1.329
local terms energy: -118.566339
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -26.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -307.666467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.666467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.666467 (E_RNA)
where:
Base-Base interactions energy: -186.249
where: short stacking energy: -87.776
Base-Backbone interact. energy: -0.193
local terms energy: -121.224682
where:
bonds (distance) C4'-P energy: -26.254
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -26.428
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -24.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -303.167714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.167714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.167714 (E_RNA)
where:
Base-Base interactions energy: -202.099
where: short stacking energy: -91.243
Base-Backbone interact. energy: -0.285
local terms energy: -100.783234
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -16.351
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: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -300.088641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.088641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.088641 (E_RNA)
where:
Base-Base interactions energy: -199.578
where: short stacking energy: -91.861
Base-Backbone interact. energy: -0.303
local terms energy: -100.207241
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -299.266297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.266297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.266297 (E_RNA)
where:
Base-Base interactions energy: -197.059
where: short stacking energy: -97.957
Base-Backbone interact. energy: -0.832
local terms energy: -101.375025
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -12.903
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: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -281.679544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.679544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.679544 (E_RNA)
where:
Base-Base interactions energy: -178.380
where: short stacking energy: -91.474
Base-Backbone interact. energy: -1.128
local terms energy: -102.170970
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -21.660
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: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -259.653398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.653398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.653398 (E_RNA)
where:
Base-Base interactions energy: -159.942
where: short stacking energy: -83.083
Base-Backbone interact. energy: -0.508
local terms energy: -99.203974
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -237.700460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.700460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.700460 (E_RNA)
where:
Base-Base interactions energy: -160.605
where: short stacking energy: -74.615
Base-Backbone interact. energy: -0.573
local terms energy: -76.522811
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -112.376756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.376756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.376756 (E_RNA)
where:
Base-Base interactions energy: -30.523
where: short stacking energy: -28.624
Base-Backbone interact. energy: -0.780
local terms energy: -81.072906
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -372.699636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.699636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.699636 (E_RNA)
where:
Base-Base interactions energy: -238.494
where: short stacking energy: -117.442
Base-Backbone interact. energy: 0.291
local terms energy: -134.496630
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -26.833
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -38.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -332.975489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.975489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.975489 (E_RNA)
where:
Base-Base interactions energy: -209.909
where: short stacking energy: -102.245
Base-Backbone interact. energy: -0.133
local terms energy: -122.933851
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -26.848
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -15.906
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: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -312.438552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.438552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.438552 (E_RNA)
where:
Base-Base interactions energy: -207.966
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.378
local terms energy: -104.094346
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -291.819755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.819755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.819755 (E_RNA)
where:
Base-Base interactions energy: -184.437
where: short stacking energy: -79.485
Base-Backbone interact. energy: -0.783
local terms energy: -106.599379
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -19.265
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -295.433271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.433271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.433271 (E_RNA)
where:
Base-Base interactions energy: -179.836
where: short stacking energy: -74.473
Base-Backbone interact. energy: -1.302
local terms energy: -114.295553
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -25.196
flat angles C4'-P-C4' energy: -27.824
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -292.601701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.601701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.601701 (E_RNA)
where:
Base-Base interactions energy: -188.202
where: short stacking energy: -84.015
Base-Backbone interact. energy: -1.457
local terms energy: -102.942044
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -28.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -276.987106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.987106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.987106 (E_RNA)
where:
Base-Base interactions energy: -176.277
where: short stacking energy: -73.781
Base-Backbone interact. energy: -0.541
local terms energy: -100.169217
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -19.378
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: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -256.688110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.688110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.688110 (E_RNA)
where:
Base-Base interactions energy: -164.059
where: short stacking energy: -75.595
Base-Backbone interact. energy: 4.706
local terms energy: -97.335777
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -237.153753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.153753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.153753 (E_RNA)
where:
Base-Base interactions energy: -140.742
where: short stacking energy: -66.950
Base-Backbone interact. energy: -0.554
local terms energy: -95.857360
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -116.347873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.347873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.347873 (E_RNA)
where:
Base-Base interactions energy: -56.863
where: short stacking energy: -39.953
Base-Backbone interact. energy: 0.775
local terms energy: -60.259807
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: 0.683
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: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -370.476875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.476875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.476875 (E_RNA)
where:
Base-Base interactions energy: -243.406
where: short stacking energy: -109.817
Base-Backbone interact. energy: -0.557
local terms energy: -126.513883
where:
bonds (distance) C4'-P energy: -24.457
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -34.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -321.547597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.547597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.547597 (E_RNA)
where:
Base-Base interactions energy: -209.254
where: short stacking energy: -102.210
Base-Backbone interact. energy: -0.477
local terms energy: -111.817246
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -27.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -297.300905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.300905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.300905 (E_RNA)
where:
Base-Base interactions energy: -180.852
where: short stacking energy: -84.732
Base-Backbone interact. energy: -1.319
local terms energy: -115.129730
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -23.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -293.265210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.265210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.265210 (E_RNA)
where:
Base-Base interactions energy: -188.281
where: short stacking energy: -79.370
Base-Backbone interact. energy: -0.482
local terms energy: -104.502237
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -23.915
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -290.244801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.244801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.244801 (E_RNA)
where:
Base-Base interactions energy: -183.714
where: short stacking energy: -83.742
Base-Backbone interact. energy: 0.825
local terms energy: -107.356065
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -25.653
flat angles P-C4'-P energy: -13.443
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: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -276.920704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.920704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.920704 (E_RNA)
where:
Base-Base interactions energy: -187.534
where: short stacking energy: -67.185
Base-Backbone interact. energy: -0.477
local terms energy: -88.909356
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -12.911
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: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -279.843326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.843326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.843326 (E_RNA)
where:
Base-Base interactions energy: -189.962
where: short stacking energy: -86.112
Base-Backbone interact. energy: -0.017
local terms energy: -89.864321
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -240.394451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.394451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.394451 (E_RNA)
where:
Base-Base interactions energy: -150.606
where: short stacking energy: -58.555
Base-Backbone interact. energy: -1.517
local terms energy: -88.270735
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -10.892
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: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -117.003230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.003230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.003230 (E_RNA)
where:
Base-Base interactions energy: -37.834
where: short stacking energy: -37.782
Base-Backbone interact. energy: 1.508
local terms energy: -80.677297
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -9.038
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: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -234.845562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.845562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.845562 (E_RNA)
where:
Base-Base interactions energy: -143.118
where: short stacking energy: -70.860
Base-Backbone interact. energy: -0.282
local terms energy: -91.446350
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -21.069
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -368.696851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.696851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.696851 (E_RNA)
where:
Base-Base interactions energy: -238.036
where: short stacking energy: -110.664
Base-Backbone interact. energy: -0.291
local terms energy: -130.369950
where:
bonds (distance) C4'-P energy: -23.656
bonds (distance) P-C4' energy: -25.998
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -37.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -321.454303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.454303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.454303 (E_RNA)
where:
Base-Base interactions energy: -213.988
where: short stacking energy: -92.476
Base-Backbone interact. energy: -0.964
local terms energy: -106.502680
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -20.806
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: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -309.056804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.056804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.056804 (E_RNA)
where:
Base-Base interactions energy: -198.558
where: short stacking energy: -92.291
Base-Backbone interact. energy: -0.030
local terms energy: -110.469390
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -25.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -284.363096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.363096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.363096 (E_RNA)
where:
Base-Base interactions energy: -173.571
where: short stacking energy: -91.652
Base-Backbone interact. energy: -2.179
local terms energy: -108.612618
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -275.113964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.113964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.113964 (E_RNA)
where:
Base-Base interactions energy: -163.238
where: short stacking energy: -85.221
Base-Backbone interact. energy: -0.141
local terms energy: -111.735324
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -20.208
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: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -292.147125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.147125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.147125 (E_RNA)
where:
Base-Base interactions energy: -192.539
where: short stacking energy: -88.827
Base-Backbone interact. energy: -0.246
local terms energy: -99.362916
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -14.252
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: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -280.640907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.640907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.640907 (E_RNA)
where:
Base-Base interactions energy: -168.985
where: short stacking energy: -77.389
Base-Backbone interact. energy: -0.233
local terms energy: -111.422668
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -245.799428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.799428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.799428 (E_RNA)
where:
Base-Base interactions energy: -152.379
where: short stacking energy: -56.639
Base-Backbone interact. energy: -1.244
local terms energy: -92.176734
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -121.174224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.174224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.174224 (E_RNA)
where:
Base-Base interactions energy: -51.496
where: short stacking energy: -29.922
Base-Backbone interact. energy: -0.130
local terms energy: -69.548384
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: 2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -218.975080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.975080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.975080 (E_RNA)
where:
Base-Base interactions energy: -139.590
where: short stacking energy: -54.894
Base-Backbone interact. energy: -0.183
local terms energy: -79.201540
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -369.934563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.934563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.934563 (E_RNA)
where:
Base-Base interactions energy: -244.094
where: short stacking energy: -113.957
Base-Backbone interact. energy: -0.030
local terms energy: -125.810460
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -36.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -327.123463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.123463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.123463 (E_RNA)
where:
Base-Base interactions energy: -204.835
where: short stacking energy: -101.538
Base-Backbone interact. energy: -0.137
local terms energy: -122.151617
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -29.434
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -31.313
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: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -308.701655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.701655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.701655 (E_RNA)
where:
Base-Base interactions energy: -198.196
where: short stacking energy: -85.528
Base-Backbone interact. energy: -0.063
local terms energy: -110.442219
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -27.174
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -24.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -287.388179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.388179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.388179 (E_RNA)
where:
Base-Base interactions energy: -184.197
where: short stacking energy: -97.751
Base-Backbone interact. energy: -0.190
local terms energy: -103.001666
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -25.130
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: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -287.142739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.142739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.142739 (E_RNA)
where:
Base-Base interactions energy: -171.055
where: short stacking energy: -81.011
Base-Backbone interact. energy: -0.573
local terms energy: -115.514065
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -27.573
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -21.358
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: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -280.675065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.675065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.675065 (E_RNA)
where:
Base-Base interactions energy: -175.582
where: short stacking energy: -77.941
Base-Backbone interact. energy: -0.104
local terms energy: -104.989679
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -23.502
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: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -252.599222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.599222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.599222 (E_RNA)
where:
Base-Base interactions energy: -155.913
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.211
local terms energy: -96.474667
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -237.141723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.141723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.141723 (E_RNA)
where:
Base-Base interactions energy: -138.247
where: short stacking energy: -69.195
Base-Backbone interact. energy: -0.362
local terms energy: -98.532499
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -208.891825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.891825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.891825 (E_RNA)
where:
Base-Base interactions energy: -118.958
where: short stacking energy: -50.624
Base-Backbone interact. energy: -1.158
local terms energy: -88.775481
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -24.225
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -127.857992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.857992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.857992 (E_RNA)
where:
Base-Base interactions energy: -46.064
where: short stacking energy: -40.536
Base-Backbone interact. energy: -0.314
local terms energy: -81.480275
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -360.863692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.863692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.863692 (E_RNA)
where:
Base-Base interactions energy: -229.801
where: short stacking energy: -115.502
Base-Backbone interact. energy: -0.014
local terms energy: -131.048531
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -25.992
flat angles C4'-P-C4' energy: -30.893
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -32.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -346.842760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.842760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.842760 (E_RNA)
where:
Base-Base interactions energy: -225.737
where: short stacking energy: -93.711
Base-Backbone interact. energy: -1.124
local terms energy: -119.981706
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -27.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -313.430055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.430055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.430055 (E_RNA)
where:
Base-Base interactions energy: -199.866
where: short stacking energy: -87.838
Base-Backbone interact. energy: -0.085
local terms energy: -113.479024
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -28.064
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: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -297.580366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.580366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.580366 (E_RNA)
where:
Base-Base interactions energy: -178.035
where: short stacking energy: -95.128
Base-Backbone interact. energy: -0.023
local terms energy: -119.521937
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -29.061
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -24.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -287.773113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.773113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.773113 (E_RNA)
where:
Base-Base interactions energy: -179.461
where: short stacking energy: -95.886
Base-Backbone interact. energy: -0.029
local terms energy: -108.283459
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -31.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -280.565426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.565426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.565426 (E_RNA)
where:
Base-Base interactions energy: -183.877
where: short stacking energy: -82.268
Base-Backbone interact. energy: -0.251
local terms energy: -96.438375
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -25.560
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -269.191953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.191953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.191953 (E_RNA)
where:
Base-Base interactions energy: -168.042
where: short stacking energy: -76.069
Base-Backbone interact. energy: -0.249
local terms energy: -100.901701
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -208.625517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.625517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.625517 (E_RNA)
where:
Base-Base interactions energy: -136.199
where: short stacking energy: -59.277
Base-Backbone interact. energy: -0.389
local terms energy: -72.037434
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -3.066
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -218.815246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.815246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.815246 (E_RNA)
where:
Base-Base interactions energy: -125.133
where: short stacking energy: -52.272
Base-Backbone interact. energy: -1.160
local terms energy: -92.522457
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -26.651
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -155.829889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.829889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.829889 (E_RNA)
where:
Base-Base interactions energy: -79.160
where: short stacking energy: -35.995
Base-Backbone interact. energy: -0.325
local terms energy: -76.344513
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -28.000
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: 2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -377.297992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.297992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.297992 (E_RNA)
where:
Base-Base interactions energy: -248.461
where: short stacking energy: -102.305
Base-Backbone interact. energy: -0.500
local terms energy: -128.336989
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -29.249
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -29.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -346.665440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.665440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.665440 (E_RNA)
where:
Base-Base interactions energy: -231.264
where: short stacking energy: -113.250
Base-Backbone interact. energy: -0.054
local terms energy: -115.347361
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -15.087
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: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -283.937142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.937142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.937142 (E_RNA)
where:
Base-Base interactions energy: -180.318
where: short stacking energy: -91.544
Base-Backbone interact. energy: -0.289
local terms energy: -103.330635
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -304.723176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.723176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.723176 (E_RNA)
where:
Base-Base interactions energy: -194.823
where: short stacking energy: -94.441
Base-Backbone interact. energy: -0.174
local terms energy: -109.725695
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -24.745
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: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -284.653938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.653938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.653938 (E_RNA)
where:
Base-Base interactions energy: -177.877
where: short stacking energy: -75.274
Base-Backbone interact. energy: -0.220
local terms energy: -106.557079
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -259.918781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.918781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.918781 (E_RNA)
where:
Base-Base interactions energy: -159.056
where: short stacking energy: -77.419
Base-Backbone interact. energy: 0.096
local terms energy: -100.958483
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -285.703972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.703972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.703972 (E_RNA)
where:
Base-Base interactions energy: -185.263
where: short stacking energy: -83.770
Base-Backbone interact. energy: -0.009
local terms energy: -100.431990
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -19.755
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: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -176.370540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.370540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.370540 (E_RNA)
where:
Base-Base interactions energy: -90.865
where: short stacking energy: -53.000
Base-Backbone interact. energy: -0.494
local terms energy: -85.011271
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -218.119930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.119930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.119930 (E_RNA)
where:
Base-Base interactions energy: -127.641
where: short stacking energy: -51.048
Base-Backbone interact. energy: -0.390
local terms energy: -90.089030
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -17.629
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -157.477592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.477592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.477592 (E_RNA)
where:
Base-Base interactions energy: -92.900
where: short stacking energy: -45.785
Base-Backbone interact. energy: 0.491
local terms energy: -65.069096
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: 2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -370.246240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.246240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.246240 (E_RNA)
where:
Base-Base interactions energy: -249.253
where: short stacking energy: -110.583
Base-Backbone interact. energy: -0.490
local terms energy: -120.503257
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -30.379
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -24.654
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: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -341.418515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.418515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.418515 (E_RNA)
where:
Base-Base interactions energy: -219.396
where: short stacking energy: -103.183
Base-Backbone interact. energy: -0.354
local terms energy: -121.669402
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -32.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -288.268015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.268015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.268015 (E_RNA)
where:
Base-Base interactions energy: -176.242
where: short stacking energy: -92.472
Base-Backbone interact. energy: -0.062
local terms energy: -111.964679
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -287.561056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.561056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.561056 (E_RNA)
where:
Base-Base interactions energy: -190.918
where: short stacking energy: -90.324
Base-Backbone interact. energy: -0.154
local terms energy: -96.489241
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -24.995
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: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -280.438695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.438695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.438695 (E_RNA)
where:
Base-Base interactions energy: -189.307
where: short stacking energy: -77.841
Base-Backbone interact. energy: -1.656
local terms energy: -89.475786
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -282.251852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.251852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.251852 (E_RNA)
where:
Base-Base interactions energy: -170.559
where: short stacking energy: -72.170
Base-Backbone interact. energy: -0.299
local terms energy: -111.393639
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -28.495
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -229.951620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.951620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.951620 (E_RNA)
where:
Base-Base interactions energy: -129.764
where: short stacking energy: -71.595
Base-Backbone interact. energy: 1.252
local terms energy: -101.439735
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -17.854
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: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -201.309143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.309143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.309143 (E_RNA)
where:
Base-Base interactions energy: -126.469
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.259
local terms energy: -74.580901
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -172.968082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.968082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.968082 (E_RNA)
where:
Base-Base interactions energy: -101.699
where: short stacking energy: -54.276
Base-Backbone interact. energy: -0.209
local terms energy: -71.060884
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -8.837
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: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -153.064754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.064754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.064754 (E_RNA)
where:
Base-Base interactions energy: -80.529
where: short stacking energy: -47.004
Base-Backbone interact. energy: -0.684
local terms energy: -71.851670
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -27.744
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -358.953904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.953904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.953904 (E_RNA)
where:
Base-Base interactions energy: -224.730
where: short stacking energy: -107.781
Base-Backbone interact. energy: -0.016
local terms energy: -134.207901
where:
bonds (distance) C4'-P energy: -27.721
bonds (distance) P-C4' energy: -27.232
flat angles C4'-P-C4' energy: -27.330
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -34.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -374.814044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.814044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.814044 (E_RNA)
where:
Base-Base interactions energy: -249.104
where: short stacking energy: -106.624
Base-Backbone interact. energy: -0.323
local terms energy: -125.387069
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -28.533
flat angles C4'-P-C4' energy: -25.690
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -308.217357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.217357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.217357 (E_RNA)
where:
Base-Base interactions energy: -195.296
where: short stacking energy: -89.148
Base-Backbone interact. energy: -1.146
local terms energy: -111.775486
where:
bonds (distance) C4'-P energy: -24.798
bonds (distance) P-C4' energy: -29.175
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -18.604
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: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -288.341038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.341038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.341038 (E_RNA)
where:
Base-Base interactions energy: -182.352
where: short stacking energy: -92.994
Base-Backbone interact. energy: -0.205
local terms energy: -105.784014
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -26.603
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -23.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -296.317972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.317972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.317972 (E_RNA)
where:
Base-Base interactions energy: -185.322
where: short stacking energy: -83.498
Base-Backbone interact. energy: -0.148
local terms energy: -110.848019
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -27.464
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -12.016
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: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -271.672325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.672325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.672325 (E_RNA)
where:
Base-Base interactions energy: -172.251
where: short stacking energy: -83.516
Base-Backbone interact. energy: -0.023
local terms energy: -99.398610
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -216.693282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.693282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.693282 (E_RNA)
where:
Base-Base interactions energy: -126.125
where: short stacking energy: -56.444
Base-Backbone interact. energy: 0.106
local terms energy: -90.674549
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -10.083
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: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -195.766523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.766523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.766523 (E_RNA)
where:
Base-Base interactions energy: -112.159
where: short stacking energy: -64.428
Base-Backbone interact. energy: 0.304
local terms energy: -83.911545
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -181.880253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.880253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.880253 (E_RNA)
where:
Base-Base interactions energy: -96.921
where: short stacking energy: -48.447
Base-Backbone interact. energy: -0.329
local terms energy: -84.630211
where:
bonds (distance) C4'-P energy: -23.833
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -26.185
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -4.694
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: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -175.739618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.739618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.739618 (E_RNA)
where:
Base-Base interactions energy: -99.938
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.255
local terms energy: -75.546744
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -10.787
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: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -367.411767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.411767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.411767 (E_RNA)
where:
Base-Base interactions energy: -236.552
where: short stacking energy: -111.892
Base-Backbone interact. energy: -0.004
local terms energy: -130.855961
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -37.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -368.734766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.734766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.734766 (E_RNA)
where:
Base-Base interactions energy: -243.500
where: short stacking energy: -105.414
Base-Backbone interact. energy: -0.777
local terms energy: -124.458005
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -28.384
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -30.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -316.847790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.847790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.847790 (E_RNA)
where:
Base-Base interactions energy: -199.785
where: short stacking energy: -100.228
Base-Backbone interact. energy: 0.142
local terms energy: -117.204034
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -299.648349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.648349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.648349 (E_RNA)
where:
Base-Base interactions energy: -193.347
where: short stacking energy: -92.543
Base-Backbone interact. energy: -0.431
local terms energy: -105.869943
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -28.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -274.077258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.077258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.077258 (E_RNA)
where:
Base-Base interactions energy: -173.259
where: short stacking energy: -82.298
Base-Backbone interact. energy: -0.164
local terms energy: -100.653745
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -281.806064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.806064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.806064 (E_RNA)
where:
Base-Base interactions energy: -177.829
where: short stacking energy: -87.488
Base-Backbone interact. energy: -0.112
local terms energy: -103.865960
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -28.253
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -13.721
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: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -224.587901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.587901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.587901 (E_RNA)
where:
Base-Base interactions energy: -128.395
where: short stacking energy: -70.679
Base-Backbone interact. energy: 0.506
local terms energy: -96.698295
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -232.974857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.974857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.974857 (E_RNA)
where:
Base-Base interactions energy: -135.654
where: short stacking energy: -68.255
Base-Backbone interact. energy: -0.260
local terms energy: -97.060087
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -27.197
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -16.593
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: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -193.869679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.869679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.869679 (E_RNA)
where:
Base-Base interactions energy: -117.999
where: short stacking energy: -59.767
Base-Backbone interact. energy: 0.840
local terms energy: -76.710962
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -110.856395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.856395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.856395 (E_RNA)
where:
Base-Base interactions energy: -31.444
where: short stacking energy: -25.102
Base-Backbone interact. energy: -0.829
local terms energy: -78.583172
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -374.445179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.445179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.445179 (E_RNA)
where:
Base-Base interactions energy: -251.118
where: short stacking energy: -108.768
Base-Backbone interact. energy: -0.066
local terms energy: -123.261431
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -26.598
flat angles C4'-P-C4' energy: -24.204
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -27.798
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: 368
Temperature: 0.950000
Total energy: -362.125158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.125158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.125158 (E_RNA)
where:
Base-Base interactions energy: -232.664
where: short stacking energy: -112.688
Base-Backbone interact. energy: -0.200
local terms energy: -129.260681
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -37.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -323.070811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.070811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.070811 (E_RNA)
where:
Base-Base interactions energy: -203.039
where: short stacking energy: -110.809
Base-Backbone interact. energy: -0.117
local terms energy: -119.915347
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -32.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -293.492052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.492052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.492052 (E_RNA)
where:
Base-Base interactions energy: -187.323
where: short stacking energy: -80.948
Base-Backbone interact. energy: -0.142
local terms energy: -106.027305
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -25.623
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -265.792251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.792251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.792251 (E_RNA)
where:
Base-Base interactions energy: -174.793
where: short stacking energy: -78.582
Base-Backbone interact. energy: -0.189
local terms energy: -90.810405
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -11.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -273.075774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.075774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.075774 (E_RNA)
where:
Base-Base interactions energy: -180.073
where: short stacking energy: -75.048
Base-Backbone interact. energy: 0.755
local terms energy: -93.757450
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -17.394
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: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -265.158380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.158380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.158380 (E_RNA)
where:
Base-Base interactions energy: -155.356
where: short stacking energy: -73.918
Base-Backbone interact. energy: -0.126
local terms energy: -109.676397
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -202.121923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.121923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.121923 (E_RNA)
where:
Base-Base interactions energy: -120.914
where: short stacking energy: -61.109
Base-Backbone interact. energy: 0.481
local terms energy: -81.688297
where:
bonds (distance) C4'-P energy: -7.795
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -205.829826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.829826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.829826 (E_RNA)
where:
Base-Base interactions energy: -130.525
where: short stacking energy: -53.096
Base-Backbone interact. energy: -2.613
local terms energy: -72.691829
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -115.055491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.055491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.055491 (E_RNA)
where:
Base-Base interactions energy: -41.213
where: short stacking energy: -23.138
Base-Backbone interact. energy: 1.965
local terms energy: -75.807539
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: 7.777
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: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -379.066570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.066570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.066570 (E_RNA)
where:
Base-Base interactions energy: -252.281
where: short stacking energy: -109.023
Base-Backbone interact. energy: -0.869
local terms energy: -125.916090
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -25.909
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -31.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -367.685281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.685281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.685281 (E_RNA)
where:
Base-Base interactions energy: -234.708
where: short stacking energy: -112.132
Base-Backbone interact. energy: -0.041
local terms energy: -132.936477
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -28.367
flat angles P-C4'-P energy: -19.165
tors. eta vs tors. theta energy: -41.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -329.785731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.785731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.785731 (E_RNA)
where:
Base-Base interactions energy: -207.974
where: short stacking energy: -112.746
Base-Backbone interact. energy: -0.057
local terms energy: -121.754140
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -25.403
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -33.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -302.995334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.995334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.995334 (E_RNA)
where:
Base-Base interactions energy: -197.336
where: short stacking energy: -88.015
Base-Backbone interact. energy: -0.189
local terms energy: -105.470147
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -18.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -276.768927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.768927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.768927 (E_RNA)
where:
Base-Base interactions energy: -186.218
where: short stacking energy: -84.360
Base-Backbone interact. energy: -0.698
local terms energy: -89.852326
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -15.676
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: 369
Temperature: 1.150000
Total energy: -287.878245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.878245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.878245 (E_RNA)
where:
Base-Base interactions energy: -185.995
where: short stacking energy: -91.168
Base-Backbone interact. energy: -0.605
local terms energy: -101.278129
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -25.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -277.873879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.873879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.873879 (E_RNA)
where:
Base-Base interactions energy: -188.389
where: short stacking energy: -77.431
Base-Backbone interact. energy: -0.514
local terms energy: -88.970912
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -17.244
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: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -228.129663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.129663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.129663 (E_RNA)
where:
Base-Base interactions energy: -132.125
where: short stacking energy: -68.967
Base-Backbone interact. energy: -0.259
local terms energy: -95.745559
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -10.463
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: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -185.519619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519619 (E_RNA)
where:
Base-Base interactions energy: -112.296
where: short stacking energy: -49.580
Base-Backbone interact. energy: 1.339
local terms energy: -74.563174
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -130.415319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.415319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.415319 (E_RNA)
where:
Base-Base interactions energy: -42.371
where: short stacking energy: -35.150
Base-Backbone interact. energy: -0.658
local terms energy: -87.387200
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -7.444
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: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -373.826502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.826502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.826502 (E_RNA)
where:
Base-Base interactions energy: -251.078
where: short stacking energy: -105.211
Base-Backbone interact. energy: -0.877
local terms energy: -121.871251
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -25.862
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -30.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -373.408100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.408100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.408100 (E_RNA)
where:
Base-Base interactions energy: -243.281
where: short stacking energy: -111.852
Base-Backbone interact. energy: 0.777
local terms energy: -130.904267
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -29.419
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -30.590
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: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -319.299322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.299322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.299322 (E_RNA)
where:
Base-Base interactions energy: -212.078
where: short stacking energy: -87.736
Base-Backbone interact. energy: -1.021
local terms energy: -106.201223
where:
bonds (distance) C4'-P energy: -27.126
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -25.877
flat angles P-C4'-P energy: -14.903
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: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -318.463407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.463407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.463407 (E_RNA)
where:
Base-Base interactions energy: -204.757
where: short stacking energy: -107.036
Base-Backbone interact. energy: -0.163
local terms energy: -113.543293
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -21.818
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: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -292.657653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.657653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.657653 (E_RNA)
where:
Base-Base interactions energy: -191.034
where: short stacking energy: -87.956
Base-Backbone interact. energy: -0.419
local terms energy: -101.205439
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -259.753156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.753156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.753156 (E_RNA)
where:
Base-Base interactions energy: -169.270
where: short stacking energy: -73.629
Base-Backbone interact. energy: -0.289
local terms energy: -90.194228
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -15.278
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: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -219.643776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.643776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.643776 (E_RNA)
where:
Base-Base interactions energy: -127.846
where: short stacking energy: -79.370
Base-Backbone interact. energy: -0.267
local terms energy: -91.530257
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -257.760617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.760617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.760617 (E_RNA)
where:
Base-Base interactions energy: -156.324
where: short stacking energy: -70.562
Base-Backbone interact. energy: -0.172
local terms energy: -101.264254
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -27.606
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -200.229848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.229848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.229848 (E_RNA)
where:
Base-Base interactions energy: -118.646
where: short stacking energy: -51.135
Base-Backbone interact. energy: -0.044
local terms energy: -81.540541
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -11.327
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: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -116.050310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.050310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.050310 (E_RNA)
where:
Base-Base interactions energy: -48.890
where: short stacking energy: -32.340
Base-Backbone interact. energy: -0.894
local terms energy: -66.266192
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: 6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -356.529751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.529751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.529751 (E_RNA)
where:
Base-Base interactions energy: -245.807
where: short stacking energy: -105.274
Base-Backbone interact. energy: -0.288
local terms energy: -110.435493
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -361.167221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.167221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.167221 (E_RNA)
where:
Base-Base interactions energy: -230.879
where: short stacking energy: -112.947
Base-Backbone interact. energy: -0.327
local terms energy: -129.960788
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -26.703
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -36.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -313.798530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.798530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.798530 (E_RNA)
where:
Base-Base interactions energy: -202.342
where: short stacking energy: -97.826
Base-Backbone interact. energy: -0.278
local terms energy: -111.178414
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -25.257
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -26.908
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: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -314.710353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.710353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.710353 (E_RNA)
where:
Base-Base interactions energy: -194.541
where: short stacking energy: -91.058
Base-Backbone interact. energy: 1.113
local terms energy: -121.282341
where:
bonds (distance) C4'-P energy: -27.974
bonds (distance) P-C4' energy: -26.196
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -21.393
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: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -294.236144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.236144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.236144 (E_RNA)
where:
Base-Base interactions energy: -192.924
where: short stacking energy: -86.326
Base-Backbone interact. energy: -0.363
local terms energy: -100.948924
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -257.986831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.986831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.986831 (E_RNA)
where:
Base-Base interactions energy: -165.507
where: short stacking energy: -71.726
Base-Backbone interact. energy: -0.265
local terms energy: -92.214081
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -22.059
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: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -259.357080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.357080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.357080 (E_RNA)
where:
Base-Base interactions energy: -152.033
where: short stacking energy: -80.975
Base-Backbone interact. energy: 0.109
local terms energy: -107.432422
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -24.129
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -16.542
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: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -259.716118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.716118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.716118 (E_RNA)
where:
Base-Base interactions energy: -174.534
where: short stacking energy: -66.845
Base-Backbone interact. energy: -2.629
local terms energy: -82.553811
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -209.561423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.561423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.561423 (E_RNA)
where:
Base-Base interactions energy: -115.584
where: short stacking energy: -49.981
Base-Backbone interact. energy: -0.054
local terms energy: -93.924008
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -123.588364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.588364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.588364 (E_RNA)
where:
Base-Base interactions energy: -47.392
where: short stacking energy: -35.451
Base-Backbone interact. energy: -1.071
local terms energy: -75.125595
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -28.278
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -1.274
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: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -378.936528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.936528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.936528 (E_RNA)
where:
Base-Base interactions energy: -239.390
where: short stacking energy: -108.702
Base-Backbone interact. energy: -0.763
local terms energy: -138.783731
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -39.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -348.262548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.262548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.262548 (E_RNA)
where:
Base-Base interactions energy: -237.943
where: short stacking energy: -94.650
Base-Backbone interact. energy: -1.314
local terms energy: -109.005606
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -26.873
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -25.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -329.666590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.666590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.666590 (E_RNA)
where:
Base-Base interactions energy: -217.535
where: short stacking energy: -102.388
Base-Backbone interact. energy: -0.896
local terms energy: -111.235808
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -19.932
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: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -305.956381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.956381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.956381 (E_RNA)
where:
Base-Base interactions energy: -207.585
where: short stacking energy: -95.985
Base-Backbone interact. energy: -0.430
local terms energy: -97.941253
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -25.713
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -270.528823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.528823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.528823 (E_RNA)
where:
Base-Base interactions energy: -160.293
where: short stacking energy: -94.841
Base-Backbone interact. energy: -1.685
local terms energy: -108.550614
where:
bonds (distance) C4'-P energy: -26.661
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -280.228018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.228018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.228018 (E_RNA)
where:
Base-Base interactions energy: -181.951
where: short stacking energy: -88.101
Base-Backbone interact. energy: -0.162
local terms energy: -98.115087
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -22.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -260.043460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.043460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.043460 (E_RNA)
where:
Base-Base interactions energy: -172.143
where: short stacking energy: -72.863
Base-Backbone interact. energy: -0.200
local terms energy: -87.701075
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -14.042
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: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -268.325040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.325040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.325040 (E_RNA)
where:
Base-Base interactions energy: -165.387
where: short stacking energy: -79.192
Base-Backbone interact. energy: -1.643
local terms energy: -101.295095
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -224.616648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.616648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.616648 (E_RNA)
where:
Base-Base interactions energy: -134.004
where: short stacking energy: -65.772
Base-Backbone interact. energy: -1.113
local terms energy: -89.500102
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -125.121601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.121601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.121601 (E_RNA)
where:
Base-Base interactions energy: -49.840
where: short stacking energy: -27.291
Base-Backbone interact. energy: 0.115
local terms energy: -75.396750
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -372.600542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.600542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.600542 (E_RNA)
where:
Base-Base interactions energy: -243.776
where: short stacking energy: -117.663
Base-Backbone interact. energy: -0.513
local terms energy: -128.310794
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -33.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -350.036352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.036352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.036352 (E_RNA)
where:
Base-Base interactions energy: -234.787
where: short stacking energy: -106.246
Base-Backbone interact. energy: 1.109
local terms energy: -116.358628
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -26.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -317.062828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.062828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.062828 (E_RNA)
where:
Base-Base interactions energy: -199.295
where: short stacking energy: -86.723
Base-Backbone interact. energy: -0.126
local terms energy: -117.642281
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -25.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -269.371037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.371037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.371037 (E_RNA)
where:
Base-Base interactions energy: -166.331
where: short stacking energy: -80.141
Base-Backbone interact. energy: -0.210
local terms energy: -102.830724
where:
bonds (distance) C4'-P energy: -25.287
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -19.029
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: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -278.185739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.185739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.185739 (E_RNA)
where:
Base-Base interactions energy: -178.176
where: short stacking energy: -81.601
Base-Backbone interact. energy: -0.061
local terms energy: -99.949113
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -20.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -284.862663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.862663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.862663 (E_RNA)
where:
Base-Base interactions energy: -183.869
where: short stacking energy: -72.554
Base-Backbone interact. energy: -0.242
local terms energy: -100.751632
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -276.630701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.630701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.630701 (E_RNA)
where:
Base-Base interactions energy: -177.857
where: short stacking energy: -84.857
Base-Backbone interact. energy: 0.229
local terms energy: -99.002603
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -25.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -245.973433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.973433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.973433 (E_RNA)
where:
Base-Base interactions energy: -159.824
where: short stacking energy: -67.429
Base-Backbone interact. energy: 0.341
local terms energy: -86.490501
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -16.721
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: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -215.633042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.633042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.633042 (E_RNA)
where:
Base-Base interactions energy: -121.127
where: short stacking energy: -62.180
Base-Backbone interact. energy: -1.518
local terms energy: -92.987671
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -115.510641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.510641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.510641 (E_RNA)
where:
Base-Base interactions energy: -50.509
where: short stacking energy: -43.536
Base-Backbone interact. energy: -0.180
local terms energy: -64.822500
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -347.187892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.187892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.187892 (E_RNA)
where:
Base-Base interactions energy: -234.331
where: short stacking energy: -103.840
Base-Backbone interact. energy: -2.006
local terms energy: -110.851373
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -25.656
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -367.643893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.643893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.643893 (E_RNA)
where:
Base-Base interactions energy: -250.795
where: short stacking energy: -108.017
Base-Backbone interact. energy: -0.131
local terms energy: -116.718275
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -20.906
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -16.535
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: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -328.502121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.502121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.502121 (E_RNA)
where:
Base-Base interactions energy: -206.822
where: short stacking energy: -93.282
Base-Backbone interact. energy: -0.888
local terms energy: -120.791894
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -25.045
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -23.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -268.888824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.888824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.888824 (E_RNA)
where:
Base-Base interactions energy: -156.605
where: short stacking energy: -71.455
Base-Backbone interact. energy: -0.396
local terms energy: -111.887753
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -18.934
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: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -286.481407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.481407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.481407 (E_RNA)
where:
Base-Base interactions energy: -191.177
where: short stacking energy: -79.722
Base-Backbone interact. energy: -0.657
local terms energy: -94.647382
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -15.710
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: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -284.463896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.463896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.463896 (E_RNA)
where:
Base-Base interactions energy: -179.362
where: short stacking energy: -85.158
Base-Backbone interact. energy: -0.188
local terms energy: -104.914079
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -245.972645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.972645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.972645 (E_RNA)
where:
Base-Base interactions energy: -143.369
where: short stacking energy: -63.653
Base-Backbone interact. energy: -1.791
local terms energy: -100.812072
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -26.964
flat angles P-C4'-P energy: -16.595
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: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -232.603301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.603301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.603301 (E_RNA)
where:
Base-Base interactions energy: -144.424
where: short stacking energy: -59.366
Base-Backbone interact. energy: -0.607
local terms energy: -87.572023
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -26.325
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -11.406
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: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -240.977742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.977742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.977742 (E_RNA)
where:
Base-Base interactions energy: -150.461
where: short stacking energy: -76.661
Base-Backbone interact. energy: 1.573
local terms energy: -92.089893
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -116.892093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.892093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.892093 (E_RNA)
where:
Base-Base interactions energy: -46.894
where: short stacking energy: -45.556
Base-Backbone interact. energy: -0.812
local terms energy: -69.185676
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -339.627894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.627894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.627894 (E_RNA)
where:
Base-Base interactions energy: -229.870
where: short stacking energy: -105.263
Base-Backbone interact. energy: -0.460
local terms energy: -109.297503
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -352.990482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.990482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.990482 (E_RNA)
where:
Base-Base interactions energy: -231.535
where: short stacking energy: -102.444
Base-Backbone interact. energy: -0.191
local terms energy: -121.263721
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -25.321
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -34.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -312.751989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.751989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.751989 (E_RNA)
where:
Base-Base interactions energy: -209.585
where: short stacking energy: -87.369
Base-Backbone interact. energy: -0.187
local terms energy: -102.980325
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -20.622
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: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -299.985468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.985468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.985468 (E_RNA)
where:
Base-Base interactions energy: -196.684
where: short stacking energy: -86.360
Base-Backbone interact. energy: -0.951
local terms energy: -102.350389
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -306.471717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.471717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.471717 (E_RNA)
where:
Base-Base interactions energy: -200.635
where: short stacking energy: -88.447
Base-Backbone interact. energy: -0.123
local terms energy: -105.714024
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -25.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -237.518989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.518989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.518989 (E_RNA)
where:
Base-Base interactions energy: -146.103
where: short stacking energy: -56.375
Base-Backbone interact. energy: -0.515
local terms energy: -90.901248
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -17.243
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: 7, replica: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -282.291537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.291537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.291537 (E_RNA)
where:
Base-Base interactions energy: -176.263
where: short stacking energy: -75.313
Base-Backbone interact. energy: -0.423
local terms energy: -105.605583
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -27.918
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -232.635397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.635397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.635397 (E_RNA)
where:
Base-Base interactions energy: -138.583
where: short stacking energy: -67.125
Base-Backbone interact. energy: 0.160
local terms energy: -94.213140
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -242.148103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.148103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.148103 (E_RNA)
where:
Base-Base interactions energy: -150.830
where: short stacking energy: -74.943
Base-Backbone interact. energy: -0.101
local terms energy: -91.217481
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -128.614128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.614128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.614128 (E_RNA)
where:
Base-Base interactions energy: -57.558
where: short stacking energy: -33.200
Base-Backbone interact. energy: -0.052
local terms energy: -71.003548
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: 7.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -359.423618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.423618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.423618 (E_RNA)
where:
Base-Base interactions energy: -234.592
where: short stacking energy: -103.225
Base-Backbone interact. energy: -0.112
local terms energy: -124.719900
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -35.658
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: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -322.171258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.171258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.171258 (E_RNA)
where:
Base-Base interactions energy: -210.120
where: short stacking energy: -95.121
Base-Backbone interact. energy: -0.116
local terms energy: -111.934615
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -342.912307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.912307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.912307 (E_RNA)
where:
Base-Base interactions energy: -218.940
where: short stacking energy: -102.235
Base-Backbone interact. energy: -0.260
local terms energy: -123.713004
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -22.591
tors. eta vs tors. theta energy: -30.391
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: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -294.129885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.129885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.129885 (E_RNA)
where:
Base-Base interactions energy: -188.797
where: short stacking energy: -83.336
Base-Backbone interact. energy: -0.548
local terms energy: -104.784235
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -29.237
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -24.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -289.552866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.552866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.552866 (E_RNA)
where:
Base-Base interactions energy: -181.742
where: short stacking energy: -72.385
Base-Backbone interact. energy: -1.895
local terms energy: -105.915968
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -21.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -251.838722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.838722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.838722 (E_RNA)
where:
Base-Base interactions energy: -162.426
where: short stacking energy: -70.763
Base-Backbone interact. energy: 0.887
local terms energy: -90.300405
where:
bonds (distance) C4'-P energy: -23.776
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -260.420403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.420403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.420403 (E_RNA)
where:
Base-Base interactions energy: -156.748
where: short stacking energy: -71.131
Base-Backbone interact. energy: -0.999
local terms energy: -102.673515
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -256.580181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.580181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.580181 (E_RNA)
where:
Base-Base interactions energy: -166.312
where: short stacking energy: -70.090
Base-Backbone interact. energy: -0.133
local terms energy: -90.134715
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -234.435136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.435136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.435136 (E_RNA)
where:
Base-Base interactions energy: -151.351
where: short stacking energy: -62.232
Base-Backbone interact. energy: -0.664
local terms energy: -82.420002
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -130.797749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.797749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.797749 (E_RNA)
where:
Base-Base interactions energy: -43.750
where: short stacking energy: -32.902
Base-Backbone interact. energy: -0.372
local terms energy: -86.675364
where:
bonds (distance) C4'-P energy: -25.199
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -372.456687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.456687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.456687 (E_RNA)
where:
Base-Base interactions energy: -242.842
where: short stacking energy: -128.472
Base-Backbone interact. energy: -0.999
local terms energy: -128.616381
where:
bonds (distance) C4'-P energy: -27.223
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -39.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -335.354059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.354059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.354059 (E_RNA)
where:
Base-Base interactions energy: -214.056
where: short stacking energy: -93.721
Base-Backbone interact. energy: -0.229
local terms energy: -121.069209
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -27.353
flat angles P-C4'-P energy: -15.126
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: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -325.208975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.208975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.208975 (E_RNA)
where:
Base-Base interactions energy: -210.212
where: short stacking energy: -92.316
Base-Backbone interact. energy: 0.128
local terms energy: -115.125317
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -23.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -294.266814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.266814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.266814 (E_RNA)
where:
Base-Base interactions energy: -178.512
where: short stacking energy: -91.867
Base-Backbone interact. energy: -0.212
local terms energy: -115.543582
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -28.299
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: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -303.809349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.809349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.809349 (E_RNA)
where:
Base-Base interactions energy: -186.781
where: short stacking energy: -87.555
Base-Backbone interact. energy: -0.077
local terms energy: -116.950701
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -15.072
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: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -259.314561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.314561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.314561 (E_RNA)
where:
Base-Base interactions energy: -161.658
where: short stacking energy: -83.592
Base-Backbone interact. energy: -0.321
local terms energy: -97.335313
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -235.109945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.109945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.109945 (E_RNA)
where:
Base-Base interactions energy: -142.832
where: short stacking energy: -62.908
Base-Backbone interact. energy: 2.206
local terms energy: -94.483407
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -25.861
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -13.389
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: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -255.807600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.807600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.807600 (E_RNA)
where:
Base-Base interactions energy: -157.974
where: short stacking energy: -69.860
Base-Backbone interact. energy: 0.017
local terms energy: -97.850679
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -190.195712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.195712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.195712 (E_RNA)
where:
Base-Base interactions energy: -103.240
where: short stacking energy: -57.132
Base-Backbone interact. energy: -0.255
local terms energy: -86.700285
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -114.030981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.030981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.030981 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -32.315
Base-Backbone interact. energy: -0.127
local terms energy: -81.492942
where:
bonds (distance) C4'-P energy: -26.040
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: 4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -378.136186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.136186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.136186 (E_RNA)
where:
Base-Base interactions energy: -245.289
where: short stacking energy: -124.582
Base-Backbone interact. energy: -1.039
local terms energy: -131.808892
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -37.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -334.320014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.320014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.320014 (E_RNA)
where:
Base-Base interactions energy: -217.554
where: short stacking energy: -90.822
Base-Backbone interact. energy: -1.798
local terms energy: -114.968356
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -303.630973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.630973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.630973 (E_RNA)
where:
Base-Base interactions energy: -188.536
where: short stacking energy: -104.615
Base-Backbone interact. energy: -0.735
local terms energy: -114.359650
where:
bonds (distance) C4'-P energy: -25.402
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -31.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -320.315379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.315379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.315379 (E_RNA)
where:
Base-Base interactions energy: -208.906
where: short stacking energy: -93.382
Base-Backbone interact. energy: -0.176
local terms energy: -111.233437
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -23.249
flat angles C4'-P-C4' energy: -26.236
flat angles P-C4'-P energy: -16.691
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: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -272.791791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.791791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.791791 (E_RNA)
where:
Base-Base interactions energy: -169.613
where: short stacking energy: -77.235
Base-Backbone interact. energy: -0.140
local terms energy: -103.038704
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -24.857
flat angles C4'-P-C4' energy: -25.528
flat angles P-C4'-P energy: -18.742
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: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -292.284133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.284133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.284133 (E_RNA)
where:
Base-Base interactions energy: -191.254
where: short stacking energy: -98.872
Base-Backbone interact. energy: -0.116
local terms energy: -100.913619
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -24.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -262.449039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.449039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.449039 (E_RNA)
where:
Base-Base interactions energy: -165.194
where: short stacking energy: -82.458
Base-Backbone interact. energy: -0.459
local terms energy: -96.796482
where:
bonds (distance) C4'-P energy: -25.537
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -15.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -232.505188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.505188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.505188 (E_RNA)
where:
Base-Base interactions energy: -141.751
where: short stacking energy: -67.391
Base-Backbone interact. energy: -0.232
local terms energy: -90.521888
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -12.984
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: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -199.521238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.521238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.521238 (E_RNA)
where:
Base-Base interactions energy: -118.864
where: short stacking energy: -57.795
Base-Backbone interact. energy: -0.135
local terms energy: -80.522305
where:
bonds (distance) C4'-P energy: -24.372
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -7.439
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: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -114.139982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.139982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.139982 (E_RNA)
where:
Base-Base interactions energy: -36.878
where: short stacking energy: -33.108
Base-Backbone interact. energy: 0.614
local terms energy: -77.875781
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: 1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -378.320476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.320476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.320476 (E_RNA)
where:
Base-Base interactions energy: -251.783
where: short stacking energy: -114.141
Base-Backbone interact. energy: -0.398
local terms energy: -126.140168
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -35.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -344.339807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.339807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.339807 (E_RNA)
where:
Base-Base interactions energy: -208.367
where: short stacking energy: -108.762
Base-Backbone interact. energy: -0.518
local terms energy: -135.455104
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -27.826
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -34.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -324.197415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.197415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.197415 (E_RNA)
where:
Base-Base interactions energy: -207.711
where: short stacking energy: -108.124
Base-Backbone interact. energy: -0.016
local terms energy: -116.469824
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -33.992
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: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -333.221282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.221282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.221282 (E_RNA)
where:
Base-Base interactions energy: -217.774
where: short stacking energy: -101.029
Base-Backbone interact. energy: -0.997
local terms energy: -114.450502
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -28.527
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -26.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -266.187353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.187353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.187353 (E_RNA)
where:
Base-Base interactions energy: -166.231
where: short stacking energy: -90.132
Base-Backbone interact. energy: -0.020
local terms energy: -99.936767
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -296.378868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.378868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.378868 (E_RNA)
where:
Base-Base interactions energy: -204.174
where: short stacking energy: -89.189
Base-Backbone interact. energy: 0.453
local terms energy: -92.657703
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -274.435928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.435928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.435928 (E_RNA)
where:
Base-Base interactions energy: -177.994
where: short stacking energy: -86.286
Base-Backbone interact. energy: -1.570
local terms energy: -94.871580
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -16.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -213.101443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.101443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.101443 (E_RNA)
where:
Base-Base interactions energy: -129.619
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.722
local terms energy: -82.760274
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -221.829932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.829932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.829932 (E_RNA)
where:
Base-Base interactions energy: -130.613
where: short stacking energy: -56.921
Base-Backbone interact. energy: 1.135
local terms energy: -92.351613
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -110.428903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.428903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.428903 (E_RNA)
where:
Base-Base interactions energy: -36.480
where: short stacking energy: -28.551
Base-Backbone interact. energy: -0.656
local terms energy: -73.292787
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: 1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -371.597653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.597653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.597653 (E_RNA)
where:
Base-Base interactions energy: -245.081
where: short stacking energy: -118.168
Base-Backbone interact. energy: -0.200
local terms energy: -126.316857
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -25.391
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -37.004
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: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -330.365156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.365156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.365156 (E_RNA)
where:
Base-Base interactions energy: -210.530
where: short stacking energy: -102.295
Base-Backbone interact. energy: -2.359
local terms energy: -117.476157
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -29.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -323.691218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.691218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.691218 (E_RNA)
where:
Base-Base interactions energy: -205.206
where: short stacking energy: -92.071
Base-Backbone interact. energy: -0.107
local terms energy: -118.378534
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -27.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -300.192928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.192928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.192928 (E_RNA)
where:
Base-Base interactions energy: -186.057
where: short stacking energy: -90.163
Base-Backbone interact. energy: -1.421
local terms energy: -112.715334
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -16.955
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: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -293.718580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.718580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.718580 (E_RNA)
where:
Base-Base interactions energy: -183.475
where: short stacking energy: -84.801
Base-Backbone interact. energy: -0.787
local terms energy: -109.456626
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -264.979808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.979808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.979808 (E_RNA)
where:
Base-Base interactions energy: -165.576
where: short stacking energy: -72.721
Base-Backbone interact. energy: 2.688
local terms energy: -102.092444
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -261.527173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.527173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.527173 (E_RNA)
where:
Base-Base interactions energy: -170.903
where: short stacking energy: -81.103
Base-Backbone interact. energy: -0.657
local terms energy: -89.966626
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -244.311978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.311978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.311978 (E_RNA)
where:
Base-Base interactions energy: -161.818
where: short stacking energy: -76.149
Base-Backbone interact. energy: -0.607
local terms energy: -81.886769
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -228.897035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.897035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.897035 (E_RNA)
where:
Base-Base interactions energy: -141.225
where: short stacking energy: -58.624
Base-Backbone interact. energy: -0.310
local terms energy: -87.361931
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -113.436936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.436936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.436936 (E_RNA)
where:
Base-Base interactions energy: -37.890
where: short stacking energy: -29.154
Base-Backbone interact. energy: -0.300
local terms energy: -75.246341
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -10.082
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: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -372.076508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.076508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.076508 (E_RNA)
where:
Base-Base interactions energy: -251.266
where: short stacking energy: -128.207
Base-Backbone interact. energy: -0.053
local terms energy: -120.758142
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -35.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -330.860987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.860987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.860987 (E_RNA)
where:
Base-Base interactions energy: -206.805
where: short stacking energy: -91.943
Base-Backbone interact. energy: 0.055
local terms energy: -124.110658
where:
bonds (distance) C4'-P energy: -26.238
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -14.108
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: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -307.956552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.956552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.956552 (E_RNA)
where:
Base-Base interactions energy: -193.773
where: short stacking energy: -90.735
Base-Backbone interact. energy: -0.481
local terms energy: -113.701985
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -27.641
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: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -303.838078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.838078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.838078 (E_RNA)
where:
Base-Base interactions energy: -188.067
where: short stacking energy: -81.855
Base-Backbone interact. energy: -0.381
local terms energy: -115.390669
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -25.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -284.588031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.588031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.588031 (E_RNA)
where:
Base-Base interactions energy: -185.293
where: short stacking energy: -76.765
Base-Backbone interact. energy: -1.157
local terms energy: -98.138632
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -273.406292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.406292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.406292 (E_RNA)
where:
Base-Base interactions energy: -174.849
where: short stacking energy: -73.333
Base-Backbone interact. energy: -0.344
local terms energy: -98.213528
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -13.399
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: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -265.201932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.201932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.201932 (E_RNA)
where:
Base-Base interactions energy: -163.832
where: short stacking energy: -78.694
Base-Backbone interact. energy: -0.635
local terms energy: -100.735609
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -25.116
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -260.170656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.170656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.170656 (E_RNA)
where:
Base-Base interactions energy: -164.598
where: short stacking energy: -66.404
Base-Backbone interact. energy: 0.872
local terms energy: -96.445342
where:
bonds (distance) C4'-P energy: -24.513
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -237.938289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.938289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.938289 (E_RNA)
where:
Base-Base interactions energy: -152.846
where: short stacking energy: -71.751
Base-Backbone interact. energy: -0.094
local terms energy: -84.998287
where:
bonds (distance) C4'-P energy: -25.899
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -2.300
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: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -173.733848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.733848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.733848 (E_RNA)
where:
Base-Base interactions energy: -109.278
where: short stacking energy: -48.018
Base-Backbone interact. energy: 0.391
local terms energy: -64.846342
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -6.858
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: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -340.191608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.191608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.191608 (E_RNA)
where:
Base-Base interactions energy: -215.066
where: short stacking energy: -98.757
Base-Backbone interact. energy: -0.136
local terms energy: -124.989392
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -27.481
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -25.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -367.467525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.467525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.467525 (E_RNA)
where:
Base-Base interactions energy: -234.977
where: short stacking energy: -101.257
Base-Backbone interact. energy: 0.379
local terms energy: -132.869513
where:
bonds (distance) C4'-P energy: -23.400
bonds (distance) P-C4' energy: -26.636
flat angles C4'-P-C4' energy: -28.572
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -37.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -302.880329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.880329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.880329 (E_RNA)
where:
Base-Base interactions energy: -185.480
where: short stacking energy: -97.456
Base-Backbone interact. energy: -0.238
local terms energy: -117.163131
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -31.192
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: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -318.142248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.142248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.142248 (E_RNA)
where:
Base-Base interactions energy: -213.971
where: short stacking energy: -99.402
Base-Backbone interact. energy: -1.554
local terms energy: -102.617440
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -24.784
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: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -279.730586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.730586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.730586 (E_RNA)
where:
Base-Base interactions energy: -177.831
where: short stacking energy: -75.075
Base-Backbone interact. energy: -0.140
local terms energy: -101.759649
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -16.988
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: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -269.960758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.960758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.960758 (E_RNA)
where:
Base-Base interactions energy: -168.641
where: short stacking energy: -74.025
Base-Backbone interact. energy: -0.570
local terms energy: -100.749321
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -18.934
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: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -250.420200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.420200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.420200 (E_RNA)
where:
Base-Base interactions energy: -158.957
where: short stacking energy: -67.504
Base-Backbone interact. energy: 0.438
local terms energy: -91.901350
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -25.570
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -264.536789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.536789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.536789 (E_RNA)
where:
Base-Base interactions energy: -166.361
where: short stacking energy: -68.824
Base-Backbone interact. energy: 3.069
local terms energy: -101.244200
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -19.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -201.759966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.759966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.759966 (E_RNA)
where:
Base-Base interactions energy: -112.058
where: short stacking energy: -58.744
Base-Backbone interact. energy: -1.603
local terms energy: -88.099061
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -194.309742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.309742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.309742 (E_RNA)
where:
Base-Base interactions energy: -128.058
where: short stacking energy: -65.603
Base-Backbone interact. energy: 1.379
local terms energy: -67.630785
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -8.605
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: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -322.107597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.107597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.107597 (E_RNA)
where:
Base-Base interactions energy: -204.948
where: short stacking energy: -102.687
Base-Backbone interact. energy: 0.696
local terms energy: -117.855358
where:
bonds (distance) C4'-P energy: -23.101
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -19.521
tors. eta vs tors. theta energy: -29.619
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: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -342.259646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.259646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.259646 (E_RNA)
where:
Base-Base interactions energy: -224.255
where: short stacking energy: -111.563
Base-Backbone interact. energy: -0.016
local terms energy: -117.988264
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -32.073
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: 383
Temperature: 1.000000
Total energy: -322.554094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.554094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.554094 (E_RNA)
where:
Base-Base interactions energy: -198.275
where: short stacking energy: -98.716
Base-Backbone interact. energy: -0.686
local terms energy: -123.592605
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -26.813
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -27.882
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: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -293.835962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.835962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.835962 (E_RNA)
where:
Base-Base interactions energy: -190.167
where: short stacking energy: -93.737
Base-Backbone interact. energy: -1.341
local terms energy: -102.328503
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -301.451460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.451460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.451460 (E_RNA)
where:
Base-Base interactions energy: -196.320
where: short stacking energy: -83.754
Base-Backbone interact. energy: -0.185
local terms energy: -104.945934
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -26.853
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -18.607
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: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -289.308379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.308379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.308379 (E_RNA)
where:
Base-Base interactions energy: -185.560
where: short stacking energy: -89.374
Base-Backbone interact. energy: -0.384
local terms energy: -103.364510
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -250.925498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.925498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.925498 (E_RNA)
where:
Base-Base interactions energy: -149.390
where: short stacking energy: -76.652
Base-Backbone interact. energy: -0.102
local terms energy: -101.433236
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -249.202601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.202601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.202601 (E_RNA)
where:
Base-Base interactions energy: -165.810
where: short stacking energy: -76.143
Base-Backbone interact. energy: 0.257
local terms energy: -83.649079
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -236.575856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.575856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.575856 (E_RNA)
where:
Base-Base interactions energy: -148.984
where: short stacking energy: -68.709
Base-Backbone interact. energy: 0.177
local terms energy: -87.768876
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -230.969674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.969674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.969674 (E_RNA)
where:
Base-Base interactions energy: -143.952
where: short stacking energy: -64.345
Base-Backbone interact. energy: 1.028
local terms energy: -88.045541
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -363.218726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.218726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.218726 (E_RNA)
where:
Base-Base interactions energy: -230.844
where: short stacking energy: -107.022
Base-Backbone interact. energy: -0.072
local terms energy: -132.302725
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -26.959
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -19.013
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: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -330.942054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.942054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.942054 (E_RNA)
where:
Base-Base interactions energy: -219.747
where: short stacking energy: -98.573
Base-Backbone interact. energy: 0.230
local terms energy: -111.424404
where:
bonds (distance) C4'-P energy: -25.151
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -25.887
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: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -331.101243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.101243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.101243 (E_RNA)
where:
Base-Base interactions energy: -208.211
where: short stacking energy: -110.339
Base-Backbone interact. energy: -0.179
local terms energy: -122.711817
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -29.371
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -31.991
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: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -297.103705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.103705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.103705 (E_RNA)
where:
Base-Base interactions energy: -190.507
where: short stacking energy: -89.321
Base-Backbone interact. energy: -0.322
local terms energy: -106.274678
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -23.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -302.269368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.269368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.269368 (E_RNA)
where:
Base-Base interactions energy: -209.621
where: short stacking energy: -103.430
Base-Backbone interact. energy: -0.591
local terms energy: -92.057667
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -25.375
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -24.649
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: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -271.679043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.679043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.679043 (E_RNA)
where:
Base-Base interactions energy: -180.505
where: short stacking energy: -79.723
Base-Backbone interact. energy: -0.473
local terms energy: -90.700163
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -258.095513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.095513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.095513 (E_RNA)
where:
Base-Base interactions energy: -156.512
where: short stacking energy: -72.409
Base-Backbone interact. energy: -1.653
local terms energy: -99.930862
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -21.690
tors. eta vs tors. theta energy: -19.231
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: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -248.250419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.250419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.250419 (E_RNA)
where:
Base-Base interactions energy: -158.534
where: short stacking energy: -73.514
Base-Backbone interact. energy: -0.018
local terms energy: -89.699023
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -247.527817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.527817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.527817 (E_RNA)
where:
Base-Base interactions energy: -169.172
where: short stacking energy: -70.390
Base-Backbone interact. energy: -0.143
local terms energy: -78.212442
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -249.211253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.211253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.211253 (E_RNA)
where:
Base-Base interactions energy: -151.835
where: short stacking energy: -74.134
Base-Backbone interact. energy: -0.190
local terms energy: -97.185889
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -25.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -360.731644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.731644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.731644 (E_RNA)
where:
Base-Base interactions energy: -238.372
where: short stacking energy: -123.219
Base-Backbone interact. energy: -0.075
local terms energy: -122.284630
where:
bonds (distance) C4'-P energy: -26.114
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -32.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -326.454297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.454297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.454297 (E_RNA)
where:
Base-Base interactions energy: -196.894
where: short stacking energy: -98.768
Base-Backbone interact. energy: -1.155
local terms energy: -128.405691
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -28.646
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -27.897
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: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -322.676368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.676368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.676368 (E_RNA)
where:
Base-Base interactions energy: -202.717
where: short stacking energy: -102.607
Base-Backbone interact. energy: -0.832
local terms energy: -119.127755
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -313.382520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.382520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.382520 (E_RNA)
where:
Base-Base interactions energy: -202.341
where: short stacking energy: -96.910
Base-Backbone interact. energy: -1.009
local terms energy: -110.033284
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -292.347708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.347708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.347708 (E_RNA)
where:
Base-Base interactions energy: -188.715
where: short stacking energy: -89.318
Base-Backbone interact. energy: -0.179
local terms energy: -103.453616
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -279.269702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.269702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.269702 (E_RNA)
where:
Base-Base interactions energy: -179.248
where: short stacking energy: -78.892
Base-Backbone interact. energy: 0.453
local terms energy: -100.474632
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -268.197112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.197112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.197112 (E_RNA)
where:
Base-Base interactions energy: -162.726
where: short stacking energy: -78.563
Base-Backbone interact. energy: -0.416
local terms energy: -105.055075
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -240.628000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.628000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.628000 (E_RNA)
where:
Base-Base interactions energy: -142.449
where: short stacking energy: -78.796
Base-Backbone interact. energy: -0.309
local terms energy: -97.869960
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -245.787707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.787707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.787707 (E_RNA)
where:
Base-Base interactions energy: -148.828
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.175
local terms energy: -96.785514
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -224.769770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.769770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.769770 (E_RNA)
where:
Base-Base interactions energy: -136.655
where: short stacking energy: -60.036
Base-Backbone interact. energy: 0.732
local terms energy: -88.846980
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -14.354
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: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -365.201012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.201012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.201012 (E_RNA)
where:
Base-Base interactions energy: -233.124
where: short stacking energy: -107.058
Base-Backbone interact. energy: -0.301
local terms energy: -131.775712
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: -32.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -320.171748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.171748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.171748 (E_RNA)
where:
Base-Base interactions energy: -201.649
where: short stacking energy: -100.345
Base-Backbone interact. energy: -0.944
local terms energy: -117.578726
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: -24.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -316.247259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.247259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.247259 (E_RNA)
where:
Base-Base interactions energy: -199.439
where: short stacking energy: -104.391
Base-Backbone interact. energy: -0.014
local terms energy: -116.794129
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -32.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -300.866781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.866781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.866781 (E_RNA)
where:
Base-Base interactions energy: -194.649
where: short stacking energy: -74.349
Base-Backbone interact. energy: -1.132
local terms energy: -105.086570
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -281.268769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.268769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.268769 (E_RNA)
where:
Base-Base interactions energy: -181.437
where: short stacking energy: -82.942
Base-Backbone interact. energy: -0.214
local terms energy: -99.617790
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -17.684
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: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -265.466499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.466499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.466499 (E_RNA)
where:
Base-Base interactions energy: -177.638
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.942
local terms energy: -86.887022
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -245.557513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.557513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.557513 (E_RNA)
where:
Base-Base interactions energy: -153.803
where: short stacking energy: -73.343
Base-Backbone interact. energy: 0.096
local terms energy: -91.850582
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -242.660670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.660670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.660670 (E_RNA)
where:
Base-Base interactions energy: -155.028
where: short stacking energy: -69.256
Base-Backbone interact. energy: 0.572
local terms energy: -88.205152
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -25.537
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -11.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -216.664713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.664713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.664713 (E_RNA)
where:
Base-Base interactions energy: -136.693
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.476
local terms energy: -79.495376
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -240.593610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.593610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.593610 (E_RNA)
where:
Base-Base interactions energy: -148.896
where: short stacking energy: -73.696
Base-Backbone interact. energy: -0.416
local terms energy: -91.281740
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -15.773
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: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -376.626313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.626313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.626313 (E_RNA)
where:
Base-Base interactions energy: -241.966
where: short stacking energy: -103.765
Base-Backbone interact. energy: -0.007
local terms energy: -134.653466
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -28.036
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -36.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -326.309190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.309190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.309190 (E_RNA)
where:
Base-Base interactions energy: -201.569
where: short stacking energy: -89.749
Base-Backbone interact. energy: -0.056
local terms energy: -124.683428
where:
bonds (distance) C4'-P energy: -27.866
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -29.547
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -32.164
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: 387
Temperature: 1.000000
Total energy: -333.564109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.564109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.564109 (E_RNA)
where:
Base-Base interactions energy: -212.325
where: short stacking energy: -91.799
Base-Backbone interact. energy: -0.064
local terms energy: -121.174826
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -26.129
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -25.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -305.693202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.693202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.693202 (E_RNA)
where:
Base-Base interactions energy: -194.511
where: short stacking energy: -91.070
Base-Backbone interact. energy: -0.797
local terms energy: -110.385080
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -12.326
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: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -296.438478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.438478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.438478 (E_RNA)
where:
Base-Base interactions energy: -191.226
where: short stacking energy: -87.223
Base-Backbone interact. energy: -0.096
local terms energy: -105.117175
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -278.395955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.395955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.395955 (E_RNA)
where:
Base-Base interactions energy: -188.733
where: short stacking energy: -84.115
Base-Backbone interact. energy: 0.401
local terms energy: -90.063300
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -16.119
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: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -246.889495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.889495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.889495 (E_RNA)
where:
Base-Base interactions energy: -156.135
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.301
local terms energy: -90.453268
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -9.861
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: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -257.915316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.915316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.915316 (E_RNA)
where:
Base-Base interactions energy: -161.616
where: short stacking energy: -78.588
Base-Backbone interact. energy: -0.272
local terms energy: -96.027832
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -224.719814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.719814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.719814 (E_RNA)
where:
Base-Base interactions energy: -121.717
where: short stacking energy: -51.835
Base-Backbone interact. energy: -0.917
local terms energy: -102.085357
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -13.068
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: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -209.080314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.080314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.080314 (E_RNA)
where:
Base-Base interactions energy: -130.920
where: short stacking energy: -58.947
Base-Backbone interact. energy: 1.224
local terms energy: -79.384470
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -9.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -372.533298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.533298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.533298 (E_RNA)
where:
Base-Base interactions energy: -257.245
where: short stacking energy: -113.995
Base-Backbone interact. energy: -0.194
local terms energy: -115.094523
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -30.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -330.200588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.200588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.200588 (E_RNA)
where:
Base-Base interactions energy: -207.805
where: short stacking energy: -95.491
Base-Backbone interact. energy: -0.220
local terms energy: -122.175500
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -31.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -336.017049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.017049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.017049 (E_RNA)
where:
Base-Base interactions energy: -235.495
where: short stacking energy: -111.533
Base-Backbone interact. energy: 0.083
local terms energy: -100.604859
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -29.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -323.883286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.883286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.883286 (E_RNA)
where:
Base-Base interactions energy: -214.999
where: short stacking energy: -91.617
Base-Backbone interact. energy: -0.496
local terms energy: -108.388096
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -295.619022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.619022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.619022 (E_RNA)
where:
Base-Base interactions energy: -193.469
where: short stacking energy: -91.998
Base-Backbone interact. energy: 0.483
local terms energy: -102.633223
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -278.399882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.399882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.399882 (E_RNA)
where:
Base-Base interactions energy: -173.788
where: short stacking energy: -73.792
Base-Backbone interact. energy: -0.330
local terms energy: -104.281347
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -266.520906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.520906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.520906 (E_RNA)
where:
Base-Base interactions energy: -162.988
where: short stacking energy: -75.442
Base-Backbone interact. energy: -1.250
local terms energy: -102.282882
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -240.006147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.006147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.006147 (E_RNA)
where:
Base-Base interactions energy: -139.893
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.846
local terms energy: -99.267465
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -25.677
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -222.750163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.750163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.750163 (E_RNA)
where:
Base-Base interactions energy: -153.826
where: short stacking energy: -65.560
Base-Backbone interact. energy: 0.078
local terms energy: -69.001459
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -211.063419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.063419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.063419 (E_RNA)
where:
Base-Base interactions energy: -129.934
where: short stacking energy: -63.760
Base-Backbone interact. energy: -0.220
local terms energy: -80.909277
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -370.937889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.937889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.937889 (E_RNA)
where:
Base-Base interactions energy: -243.441
where: short stacking energy: -116.919
Base-Backbone interact. energy: -0.869
local terms energy: -126.627593
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -33.660
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: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -328.658235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.658235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.658235 (E_RNA)
where:
Base-Base interactions energy: -206.118
where: short stacking energy: -98.465
Base-Backbone interact. energy: 0.927
local terms energy: -123.466759
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -27.530
flat angles C4'-P-C4' energy: -28.170
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -26.245
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: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -323.176143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.176143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.176143 (E_RNA)
where:
Base-Base interactions energy: -200.007
where: short stacking energy: -99.743
Base-Backbone interact. energy: -0.105
local terms energy: -123.064011
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -29.558
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -20.533
tors. eta vs tors. theta energy: -23.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -304.850628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.850628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.850628 (E_RNA)
where:
Base-Base interactions energy: -195.918
where: short stacking energy: -90.376
Base-Backbone interact. energy: -0.502
local terms energy: -108.430763
where:
bonds (distance) C4'-P energy: -25.638
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -292.433446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.433446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.433446 (E_RNA)
where:
Base-Base interactions energy: -179.727
where: short stacking energy: -83.752
Base-Backbone interact. energy: 1.236
local terms energy: -113.943031
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -23.566
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: 389
Temperature: 1.150000
Total energy: -275.344747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.344747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.344747 (E_RNA)
where:
Base-Base interactions energy: -184.153
where: short stacking energy: -75.985
Base-Backbone interact. energy: -0.215
local terms energy: -90.976289
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -253.737784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.737784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.737784 (E_RNA)
where:
Base-Base interactions energy: -153.691
where: short stacking energy: -72.351
Base-Backbone interact. energy: -0.493
local terms energy: -99.553989
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -22.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -238.409800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.409800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.409800 (E_RNA)
where:
Base-Base interactions energy: -152.994
where: short stacking energy: -61.983
Base-Backbone interact. energy: -0.285
local terms energy: -85.131115
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -192.424729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.424729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.424729 (E_RNA)
where:
Base-Base interactions energy: -109.796
where: short stacking energy: -48.326
Base-Backbone interact. energy: -0.424
local terms energy: -82.205193
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -209.301305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.301305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.301305 (E_RNA)
where:
Base-Base interactions energy: -125.396
where: short stacking energy: -62.380
Base-Backbone interact. energy: -0.883
local terms energy: -83.022762
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -9.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -376.613434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.613434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.613434 (E_RNA)
where:
Base-Base interactions energy: -248.189
where: short stacking energy: -112.950
Base-Backbone interact. energy: -0.187
local terms energy: -128.237252
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -34.834
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: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -354.302573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.302573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.302573 (E_RNA)
where:
Base-Base interactions energy: -224.253
where: short stacking energy: -100.152
Base-Backbone interact. energy: -0.182
local terms energy: -129.867647
where:
bonds (distance) C4'-P energy: -26.562
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -33.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -329.993346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.993346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.993346 (E_RNA)
where:
Base-Base interactions energy: -214.713
where: short stacking energy: -103.803
Base-Backbone interact. energy: -0.893
local terms energy: -114.387403
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -26.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -279.855385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.855385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.855385 (E_RNA)
where:
Base-Base interactions energy: -181.564
where: short stacking energy: -80.125
Base-Backbone interact. energy: 0.210
local terms energy: -98.500872
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -28.217
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -272.720346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.720346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.720346 (E_RNA)
where:
Base-Base interactions energy: -177.378
where: short stacking energy: -85.463
Base-Backbone interact. energy: -0.405
local terms energy: -94.937707
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -279.322408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.322408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.322408 (E_RNA)
where:
Base-Base interactions energy: -177.235
where: short stacking energy: -80.443
Base-Backbone interact. energy: -0.253
local terms energy: -101.833964
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -16.478
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: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -260.079023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.079023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.079023 (E_RNA)
where:
Base-Base interactions energy: -165.840
where: short stacking energy: -82.823
Base-Backbone interact. energy: -0.267
local terms energy: -93.972578
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -26.668
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -265.813262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.813262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.813262 (E_RNA)
where:
Base-Base interactions energy: -174.159
where: short stacking energy: -95.284
Base-Backbone interact. energy: -0.170
local terms energy: -91.484753
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -25.651
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: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -231.518353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.518353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.518353 (E_RNA)
where:
Base-Base interactions energy: -149.940
where: short stacking energy: -72.083
Base-Backbone interact. energy: -0.124
local terms energy: -81.453715
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -12.911
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: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -188.379170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.379170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.379170 (E_RNA)
where:
Base-Base interactions energy: -116.803
where: short stacking energy: -55.749
Base-Backbone interact. energy: -0.393
local terms energy: -71.182740
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -390.153232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.153232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.153232 (E_RNA)
where:
Base-Base interactions energy: -259.576
where: short stacking energy: -128.036
Base-Backbone interact. energy: -0.015
local terms energy: -130.562126
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -33.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -358.343755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.343755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.343755 (E_RNA)
where:
Base-Base interactions energy: -217.857
where: short stacking energy: -109.368
Base-Backbone interact. energy: 0.261
local terms energy: -140.747833
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -28.799
flat angles C4'-P-C4' energy: -31.634
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -35.021
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: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -308.376430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.376430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.376430 (E_RNA)
where:
Base-Base interactions energy: -201.596
where: short stacking energy: -90.396
Base-Backbone interact. energy: 0.667
local terms energy: -107.447545
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -26.595
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -18.152
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: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -317.107140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.107140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.107140 (E_RNA)
where:
Base-Base interactions energy: -212.950
where: short stacking energy: -100.289
Base-Backbone interact. energy: -0.571
local terms energy: -103.586206
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -286.384544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.384544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.384544 (E_RNA)
where:
Base-Base interactions energy: -177.800
where: short stacking energy: -86.332
Base-Backbone interact. energy: -0.205
local terms energy: -108.379573
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -22.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -247.370790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.370790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.370790 (E_RNA)
where:
Base-Base interactions energy: -156.334
where: short stacking energy: -68.822
Base-Backbone interact. energy: -0.367
local terms energy: -90.669578
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -12.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -274.276663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.276663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.276663 (E_RNA)
where:
Base-Base interactions energy: -182.709
where: short stacking energy: -79.043
Base-Backbone interact. energy: -1.251
local terms energy: -90.316634
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -250.465503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.465503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.465503 (E_RNA)
where:
Base-Base interactions energy: -153.917
where: short stacking energy: -62.700
Base-Backbone interact. energy: -0.551
local terms energy: -95.997646
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -15.179
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: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -253.788452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.788452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.788452 (E_RNA)
where:
Base-Base interactions energy: -157.492
where: short stacking energy: -74.765
Base-Backbone interact. energy: -0.654
local terms energy: -95.641689
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -23.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -229.272270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.272270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.272270 (E_RNA)
where:
Base-Base interactions energy: -139.059
where: short stacking energy: -59.610
Base-Backbone interact. energy: -0.124
local terms energy: -90.088498
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -375.675874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.675874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.675874 (E_RNA)
where:
Base-Base interactions energy: -259.222
where: short stacking energy: -124.625
Base-Backbone interact. energy: -1.427
local terms energy: -115.027511
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -18.631
flat angles C4'-P-C4' energy: -27.341
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -35.497
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: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -336.392834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.392834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.392834 (E_RNA)
where:
Base-Base interactions energy: -222.269
where: short stacking energy: -98.385
Base-Backbone interact. energy: -0.712
local terms energy: -113.411495
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -30.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -313.308869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.308869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.308869 (E_RNA)
where:
Base-Base interactions energy: -211.094
where: short stacking energy: -104.214
Base-Backbone interact. energy: -0.153
local terms energy: -102.062231
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -26.828
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: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -300.933095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.933095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.933095 (E_RNA)
where:
Base-Base interactions energy: -195.335
where: short stacking energy: -90.278
Base-Backbone interact. energy: -0.062
local terms energy: -105.535886
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -21.467
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: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -279.900271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.900271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.900271 (E_RNA)
where:
Base-Base interactions energy: -178.148
where: short stacking energy: -81.899
Base-Backbone interact. energy: -0.756
local terms energy: -100.996695
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -276.757749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.757749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.757749 (E_RNA)
where:
Base-Base interactions energy: -176.803
where: short stacking energy: -81.328
Base-Backbone interact. energy: -0.345
local terms energy: -99.610454
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -26.725
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -287.339877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.339877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.339877 (E_RNA)
where:
Base-Base interactions energy: -187.665
where: short stacking energy: -97.080
Base-Backbone interact. energy: -0.165
local terms energy: -99.509440
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -7.482
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: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -250.792428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.792428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.792428 (E_RNA)
where:
Base-Base interactions energy: -154.592
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.401
local terms energy: -95.799641
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -14.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -240.864853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.864853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.864853 (E_RNA)
where:
Base-Base interactions energy: -144.226
where: short stacking energy: -65.244
Base-Backbone interact. energy: -0.020
local terms energy: -96.618351
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -203.635737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.635737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.635737 (E_RNA)
where:
Base-Base interactions energy: -122.396
where: short stacking energy: -55.634
Base-Backbone interact. energy: -1.099
local terms energy: -80.140243
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -9.747
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: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -370.973989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.973989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.973989 (E_RNA)
where:
Base-Base interactions energy: -243.860
where: short stacking energy: -117.058
Base-Backbone interact. energy: -0.020
local terms energy: -127.094456
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -25.274
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -34.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -352.676499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.676499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.676499 (E_RNA)
where:
Base-Base interactions energy: -237.361
where: short stacking energy: -103.931
Base-Backbone interact. energy: -0.291
local terms energy: -115.024377
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -32.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -309.467290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.467290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.467290 (E_RNA)
where:
Base-Base interactions energy: -194.221
where: short stacking energy: -94.446
Base-Backbone interact. energy: 1.158
local terms energy: -116.404181
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -29.412
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: 393
Temperature: 1.050000
Total energy: -297.890337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.890337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.890337 (E_RNA)
where:
Base-Base interactions energy: -183.487
where: short stacking energy: -95.008
Base-Backbone interact. energy: 2.986
local terms energy: -117.389754
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -287.032100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.032100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.032100 (E_RNA)
where:
Base-Base interactions energy: -191.746
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.263
local terms energy: -95.023638
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -14.908
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: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -265.507598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.507598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.507598 (E_RNA)
where:
Base-Base interactions energy: -181.776
where: short stacking energy: -77.805
Base-Backbone interact. energy: -0.517
local terms energy: -83.214074
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -291.225632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.225632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.225632 (E_RNA)
where:
Base-Base interactions energy: -188.774
where: short stacking energy: -89.886
Base-Backbone interact. energy: -1.096
local terms energy: -101.355770
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -10.058
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: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -243.120862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.120862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.120862 (E_RNA)
where:
Base-Base interactions energy: -149.658
where: short stacking energy: -68.663
Base-Backbone interact. energy: 3.475
local terms energy: -96.937745
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -221.392829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.392829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.392829 (E_RNA)
where:
Base-Base interactions energy: -141.760
where: short stacking energy: -66.212
Base-Backbone interact. energy: 0.872
local terms energy: -80.504241
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -227.169141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.169141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.169141 (E_RNA)
where:
Base-Base interactions energy: -145.834
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.549
local terms energy: -80.786168
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -10.327
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: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -374.440757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.440757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.440757 (E_RNA)
where:
Base-Base interactions energy: -243.905
where: short stacking energy: -109.268
Base-Backbone interact. energy: -1.116
local terms energy: -129.419692
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -26.678
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -32.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -342.891640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.891640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.891640 (E_RNA)
where:
Base-Base interactions energy: -226.464
where: short stacking energy: -105.409
Base-Backbone interact. energy: -0.495
local terms energy: -115.932675
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -30.793
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: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -310.217805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.217805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.217805 (E_RNA)
where:
Base-Base interactions energy: -194.627
where: short stacking energy: -87.778
Base-Backbone interact. energy: -0.891
local terms energy: -114.700559
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -27.000
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -284.073446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.073446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.073446 (E_RNA)
where:
Base-Base interactions energy: -181.688
where: short stacking energy: -98.618
Base-Backbone interact. energy: -0.990
local terms energy: -101.395367
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -22.613
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: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -283.075338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.075338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.075338 (E_RNA)
where:
Base-Base interactions energy: -193.170
where: short stacking energy: -73.104
Base-Backbone interact. energy: 0.509
local terms energy: -90.413860
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -12.972
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: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -284.664088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.664088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.664088 (E_RNA)
where:
Base-Base interactions energy: -183.774
where: short stacking energy: -80.653
Base-Backbone interact. energy: -0.434
local terms energy: -100.456638
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -15.981
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: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -250.179493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.179493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.179493 (E_RNA)
where:
Base-Base interactions energy: -146.336
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.238
local terms energy: -103.605807
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -251.977674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.977674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.977674 (E_RNA)
where:
Base-Base interactions energy: -157.007
where: short stacking energy: -74.961
Base-Backbone interact. energy: -0.091
local terms energy: -94.879464
where:
bonds (distance) C4'-P energy: -26.341
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -12.777
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: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -221.782005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.782005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.782005 (E_RNA)
where:
Base-Base interactions energy: -128.150
where: short stacking energy: -49.780
Base-Backbone interact. energy: -1.293
local terms energy: -92.339512
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -232.238245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.238245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.238245 (E_RNA)
where:
Base-Base interactions energy: -144.893
where: short stacking energy: -65.743
Base-Backbone interact. energy: -0.381
local terms energy: -86.964190
where:
bonds (distance) C4'-P energy: -24.251
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -13.244
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: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -382.735594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.735594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.735594 (E_RNA)
where:
Base-Base interactions energy: -253.333
where: short stacking energy: -113.915
Base-Backbone interact. energy: -0.525
local terms energy: -128.877339
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -35.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -325.099024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.099024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.099024 (E_RNA)
where:
Base-Base interactions energy: -194.870
where: short stacking energy: -106.598
Base-Backbone interact. energy: -0.707
local terms energy: -129.521964
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -33.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -350.596063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.596063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.596063 (E_RNA)
where:
Base-Base interactions energy: -230.891
where: short stacking energy: -96.005
Base-Backbone interact. energy: 1.772
local terms energy: -121.476743
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -32.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -292.473274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.473274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.473274 (E_RNA)
where:
Base-Base interactions energy: -191.252
where: short stacking energy: -72.648
Base-Backbone interact. energy: -1.131
local terms energy: -100.089703
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -27.594
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -14.377
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: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -267.766057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.766057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.766057 (E_RNA)
where:
Base-Base interactions energy: -164.903
where: short stacking energy: -84.983
Base-Backbone interact. energy: -0.167
local terms energy: -102.696082
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -252.267724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.267724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.267724 (E_RNA)
where:
Base-Base interactions energy: -152.985
where: short stacking energy: -70.328
Base-Backbone interact. energy: -0.217
local terms energy: -99.065739
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -26.572
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -281.611749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.611749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.611749 (E_RNA)
where:
Base-Base interactions energy: -183.159
where: short stacking energy: -71.815
Base-Backbone interact. energy: 0.070
local terms energy: -98.522644
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -16.973
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: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -189.108384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.108384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.108384 (E_RNA)
where:
Base-Base interactions energy: -113.774
where: short stacking energy: -55.059
Base-Backbone interact. energy: 5.163
local terms energy: -80.497042
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -238.918663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.918663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.918663 (E_RNA)
where:
Base-Base interactions energy: -145.971
where: short stacking energy: -67.192
Base-Backbone interact. energy: -1.157
local terms energy: -91.790497
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -26.273
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -230.370117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.370117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.370117 (E_RNA)
where:
Base-Base interactions energy: -146.064
where: short stacking energy: -73.289
Base-Backbone interact. energy: 2.003
local terms energy: -86.308736
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -24.047
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -372.329736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.329736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.329736 (E_RNA)
where:
Base-Base interactions energy: -243.035
where: short stacking energy: -95.678
Base-Backbone interact. energy: -0.402
local terms energy: -128.892428
where:
bonds (distance) C4'-P energy: -23.890
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -27.983
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -30.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -324.271783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.271783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.271783 (E_RNA)
where:
Base-Base interactions energy: -211.373
where: short stacking energy: -95.711
Base-Backbone interact. energy: -0.677
local terms energy: -112.221633
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -23.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -333.323321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.323321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.323321 (E_RNA)
where:
Base-Base interactions energy: -220.511
where: short stacking energy: -91.197
Base-Backbone interact. energy: 2.932
local terms energy: -115.744271
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -18.821
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: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -289.883740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.883740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.883740 (E_RNA)
where:
Base-Base interactions energy: -185.058
where: short stacking energy: -71.702
Base-Backbone interact. energy: -0.724
local terms energy: -104.101738
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -25.281
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -268.539737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.539737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.539737 (E_RNA)
where:
Base-Base interactions energy: -168.783
where: short stacking energy: -81.468
Base-Backbone interact. energy: -0.047
local terms energy: -99.710434
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -17.760
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: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -267.427071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.427071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.427071 (E_RNA)
where:
Base-Base interactions energy: -167.798
where: short stacking energy: -82.380
Base-Backbone interact. energy: 0.057
local terms energy: -99.686075
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -283.434047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.434047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.434047 (E_RNA)
where:
Base-Base interactions energy: -185.937
where: short stacking energy: -86.900
Base-Backbone interact. energy: -0.154
local terms energy: -97.343170
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -26.861
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -23.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -222.464796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.464796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.464796 (E_RNA)
where:
Base-Base interactions energy: -143.761
where: short stacking energy: -61.300
Base-Backbone interact. energy: 0.952
local terms energy: -79.655817
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -234.997612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.997612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.997612 (E_RNA)
where:
Base-Base interactions energy: -150.449
where: short stacking energy: -62.697
Base-Backbone interact. energy: 1.205
local terms energy: -85.753286
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -10.114
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: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -241.498534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.498534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.498534 (E_RNA)
where:
Base-Base interactions energy: -154.888
where: short stacking energy: -66.006
Base-Backbone interact. energy: -1.128
local terms energy: -85.482469
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -379.460416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.460416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.460416 (E_RNA)
where:
Base-Base interactions energy: -253.998
where: short stacking energy: -116.935
Base-Backbone interact. energy: 0.114
local terms energy: -125.576392
where:
bonds (distance) C4'-P energy: -26.347
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -35.490
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: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -349.436657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.436657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.436657 (E_RNA)
where:
Base-Base interactions energy: -232.103
where: short stacking energy: -97.564
Base-Backbone interact. energy: -0.292
local terms energy: -117.041615
where:
bonds (distance) C4'-P energy: -28.469
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -25.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -318.483121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.483121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.483121 (E_RNA)
where:
Base-Base interactions energy: -208.908
where: short stacking energy: -88.918
Base-Backbone interact. energy: -0.207
local terms energy: -109.368756
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -31.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -307.797709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.797709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.797709 (E_RNA)
where:
Base-Base interactions energy: -196.536
where: short stacking energy: -99.997
Base-Backbone interact. energy: -0.180
local terms energy: -111.081697
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -27.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -264.560750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.560750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.560750 (E_RNA)
where:
Base-Base interactions energy: -160.195
where: short stacking energy: -84.017
Base-Backbone interact. energy: -0.122
local terms energy: -104.244090
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -286.320966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.320966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.320966 (E_RNA)
where:
Base-Base interactions energy: -192.816
where: short stacking energy: -82.459
Base-Backbone interact. energy: -1.392
local terms energy: -92.112757
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -22.990
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: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -223.529119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.529119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.529119 (E_RNA)
where:
Base-Base interactions energy: -135.740
where: short stacking energy: -61.155
Base-Backbone interact. energy: 1.307
local terms energy: -89.095776
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -26.074
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -237.327335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.327335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.327335 (E_RNA)
where:
Base-Base interactions energy: -136.831
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.133
local terms energy: -100.363797
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -27.364
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -19.710
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: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -245.729102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.729102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.729102 (E_RNA)
where:
Base-Base interactions energy: -150.343
where: short stacking energy: -61.903
Base-Backbone interact. energy: -0.106
local terms energy: -95.279857
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -25.676
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -249.857841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.857841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.857841 (E_RNA)
where:
Base-Base interactions energy: -156.714
where: short stacking energy: -74.055
Base-Backbone interact. energy: -0.572
local terms energy: -92.572271
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -19.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -375.151084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.151084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.151084 (E_RNA)
where:
Base-Base interactions energy: -251.019
where: short stacking energy: -111.390
Base-Backbone interact. energy: -1.020
local terms energy: -123.111982
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -25.115
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -34.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -351.205225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.205225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.205225 (E_RNA)
where:
Base-Base interactions energy: -244.379
where: short stacking energy: -87.016
Base-Backbone interact. energy: 1.648
local terms energy: -108.474254
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -27.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -318.620610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.620610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.620610 (E_RNA)
where:
Base-Base interactions energy: -205.760
where: short stacking energy: -94.401
Base-Backbone interact. energy: -0.410
local terms energy: -112.449753
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -20.841
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: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -315.553170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.553170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.553170 (E_RNA)
where:
Base-Base interactions energy: -211.394
where: short stacking energy: -100.978
Base-Backbone interact. energy: -0.502
local terms energy: -103.656741
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -22.060
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: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -249.593455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.593455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.593455 (E_RNA)
where:
Base-Base interactions energy: -155.133
where: short stacking energy: -73.721
Base-Backbone interact. energy: -0.163
local terms energy: -94.296661
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -12.862
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: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -270.540365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.540365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.540365 (E_RNA)
where:
Base-Base interactions energy: -166.827
where: short stacking energy: -77.519
Base-Backbone interact. energy: -0.772
local terms energy: -102.940767
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -23.717
flat angles C4'-P-C4' energy: -24.387
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -256.617669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.617669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.617669 (E_RNA)
where:
Base-Base interactions energy: -165.826
where: short stacking energy: -73.677
Base-Backbone interact. energy: 0.549
local terms energy: -91.341015
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -238.645811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.645811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.645811 (E_RNA)
where:
Base-Base interactions energy: -129.150
where: short stacking energy: -59.230
Base-Backbone interact. energy: -2.838
local terms energy: -106.657618
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -14.279
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: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -247.903857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.903857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.903857 (E_RNA)
where:
Base-Base interactions energy: -146.857
where: short stacking energy: -56.199
Base-Backbone interact. energy: -0.257
local terms energy: -100.790442
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -11.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -219.842498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.842498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.842498 (E_RNA)
where:
Base-Base interactions energy: -128.608
where: short stacking energy: -47.380
Base-Backbone interact. energy: -0.316
local terms energy: -90.918735
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -375.503063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.503063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.503063 (E_RNA)
where:
Base-Base interactions energy: -248.809
where: short stacking energy: -113.865
Base-Backbone interact. energy: -0.918
local terms energy: -125.775838
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -33.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -327.646025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.646025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.646025 (E_RNA)
where:
Base-Base interactions energy: -211.126
where: short stacking energy: -95.742
Base-Backbone interact. energy: -0.199
local terms energy: -116.320196
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -26.785
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -343.514597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.514597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.514597 (E_RNA)
where:
Base-Base interactions energy: -224.896
where: short stacking energy: -94.226
Base-Backbone interact. energy: -0.893
local terms energy: -117.725423
where:
bonds (distance) C4'-P energy: -24.615
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -26.127
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -28.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -297.184920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.184920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.184920 (E_RNA)
where:
Base-Base interactions energy: -208.430
where: short stacking energy: -85.857
Base-Backbone interact. energy: -0.905
local terms energy: -87.849774
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -286.045447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.045447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.045447 (E_RNA)
where:
Base-Base interactions energy: -168.245
where: short stacking energy: -90.224
Base-Backbone interact. energy: 0.601
local terms energy: -118.401112
where:
bonds (distance) C4'-P energy: -25.028
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -24.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -286.932997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.932997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.932997 (E_RNA)
where:
Base-Base interactions energy: -170.815
where: short stacking energy: -82.890
Base-Backbone interact. energy: -0.527
local terms energy: -115.591818
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -276.995479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.995479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.995479 (E_RNA)
where:
Base-Base interactions energy: -167.054
where: short stacking energy: -71.702
Base-Backbone interact. energy: -0.086
local terms energy: -109.855357
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -246.982377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.982377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.982377 (E_RNA)
where:
Base-Base interactions energy: -155.719
where: short stacking energy: -66.681
Base-Backbone interact. energy: -0.651
local terms energy: -90.612205
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -14.145
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: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -252.243648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.243648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.243648 (E_RNA)
where:
Base-Base interactions energy: -157.460
where: short stacking energy: -62.914
Base-Backbone interact. energy: -1.418
local terms energy: -93.365175
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -190.141263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.141263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.141263 (E_RNA)
where:
Base-Base interactions energy: -106.236
where: short stacking energy: -55.788
Base-Backbone interact. energy: -0.159
local terms energy: -83.746000
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -369.507439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.507439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.507439 (E_RNA)
where:
Base-Base interactions energy: -245.897
where: short stacking energy: -110.260
Base-Backbone interact. energy: -1.059
local terms energy: -122.550946
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -36.886
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: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -329.048752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.048752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.048752 (E_RNA)
where:
Base-Base interactions energy: -217.041
where: short stacking energy: -90.419
Base-Backbone interact. energy: -0.466
local terms energy: -111.542219
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -23.558
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: 400
Temperature: 1.000000
Total energy: -331.207587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.207587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.207587 (E_RNA)
where:
Base-Base interactions energy: -228.845
where: short stacking energy: -82.997
Base-Backbone interact. energy: -1.618
local terms energy: -100.744517
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -306.817963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.817963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.817963 (E_RNA)
where:
Base-Base interactions energy: -195.312
where: short stacking energy: -96.727
Base-Backbone interact. energy: -0.395
local terms energy: -111.110782
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -18.401
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: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -291.607864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.607864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.607864 (E_RNA)
where:
Base-Base interactions energy: -172.787
where: short stacking energy: -82.569
Base-Backbone interact. energy: -0.249
local terms energy: -118.572477
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -28.718
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: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -299.927671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.927671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.927671 (E_RNA)
where:
Base-Base interactions energy: -185.373
where: short stacking energy: -91.660
Base-Backbone interact. energy: -0.128
local terms energy: -114.427201
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -21.184
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -274.688275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.688275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.688275 (E_RNA)
where:
Base-Base interactions energy: -173.722
where: short stacking energy: -73.098
Base-Backbone interact. energy: -0.631
local terms energy: -100.334710
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -14.969
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: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -247.637422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.637422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.637422 (E_RNA)
where:
Base-Base interactions energy: -154.920
where: short stacking energy: -77.934
Base-Backbone interact. energy: -0.207
local terms energy: -92.510201
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -236.525333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.525333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.525333 (E_RNA)
where:
Base-Base interactions energy: -147.016
where: short stacking energy: -72.615
Base-Backbone interact. energy: 0.014
local terms energy: -89.523612
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -16.435
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: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -177.870154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.870154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.870154 (E_RNA)
where:
Base-Base interactions energy: -97.523
where: short stacking energy: -53.014
Base-Backbone interact. energy: 1.167
local terms energy: -81.513923
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -354.776714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.776714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.776714 (E_RNA)
where:
Base-Base interactions energy: -231.775
where: short stacking energy: -105.929
Base-Backbone interact. energy: -0.256
local terms energy: -122.746497
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -33.975
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: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -348.937885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.937885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.937885 (E_RNA)
where:
Base-Base interactions energy: -232.673
where: short stacking energy: -98.255
Base-Backbone interact. energy: -0.990
local terms energy: -115.274932
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -25.622
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -322.695601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.695601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.695601 (E_RNA)
where:
Base-Base interactions energy: -226.113
where: short stacking energy: -95.192
Base-Backbone interact. energy: -0.162
local terms energy: -96.421205
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -291.189351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.189351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.189351 (E_RNA)
where:
Base-Base interactions energy: -197.934
where: short stacking energy: -88.814
Base-Backbone interact. energy: -0.590
local terms energy: -92.665779
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -22.588
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: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -281.471966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.471966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.471966 (E_RNA)
where:
Base-Base interactions energy: -191.848
where: short stacking energy: -85.873
Base-Backbone interact. energy: -0.431
local terms energy: -89.192477
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -283.610870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.610870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.610870 (E_RNA)
where:
Base-Base interactions energy: -183.517
where: short stacking energy: -77.014
Base-Backbone interact. energy: -0.164
local terms energy: -99.930524
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -11.892
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: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -273.687957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.687957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.687957 (E_RNA)
where:
Base-Base interactions energy: -170.915
where: short stacking energy: -76.625
Base-Backbone interact. energy: 2.122
local terms energy: -104.895633
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -24.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -247.863269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.863269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.863269 (E_RNA)
where:
Base-Base interactions energy: -150.263
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.134
local terms energy: -97.466359
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -21.915
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -237.967889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.967889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.967889 (E_RNA)
where:
Base-Base interactions energy: -141.640
where: short stacking energy: -70.190
Base-Backbone interact. energy: -0.511
local terms energy: -95.817045
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -160.975640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.975640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.975640 (E_RNA)
where:
Base-Base interactions energy: -95.012
where: short stacking energy: -47.147
Base-Backbone interact. energy: 0.804
local terms energy: -66.767366
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -7.821
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: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -358.206768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.206768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.206768 (E_RNA)
where:
Base-Base interactions energy: -240.390
where: short stacking energy: -89.516
Base-Backbone interact. energy: -0.299
local terms energy: -117.518678
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -27.339
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -357.803014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.803014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.803014 (E_RNA)
where:
Base-Base interactions energy: -236.958
where: short stacking energy: -109.701
Base-Backbone interact. energy: -0.761
local terms energy: -120.084441
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -31.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -311.672503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.672503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.672503 (E_RNA)
where:
Base-Base interactions energy: -211.440
where: short stacking energy: -90.754
Base-Backbone interact. energy: -0.135
local terms energy: -100.097671
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -312.851610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.851610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.851610 (E_RNA)
where:
Base-Base interactions energy: -200.331
where: short stacking energy: -84.248
Base-Backbone interact. energy: -0.123
local terms energy: -112.396865
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -281.572600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.572600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.572600 (E_RNA)
where:
Base-Base interactions energy: -190.998
where: short stacking energy: -85.764
Base-Backbone interact. energy: -1.044
local terms energy: -89.530722
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -294.471985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.471985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.471985 (E_RNA)
where:
Base-Base interactions energy: -190.562
where: short stacking energy: -88.081
Base-Backbone interact. energy: -1.245
local terms energy: -102.664770
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -24.071
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: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -265.403746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.403746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.403746 (E_RNA)
where:
Base-Base interactions energy: -158.260
where: short stacking energy: -79.984
Base-Backbone interact. energy: -1.008
local terms energy: -106.136365
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -23.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -254.387087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.387087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.387087 (E_RNA)
where:
Base-Base interactions energy: -165.669
where: short stacking energy: -80.996
Base-Backbone interact. energy: 0.936
local terms energy: -89.654720
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -16.953
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: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -218.910478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.910478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.910478 (E_RNA)
where:
Base-Base interactions energy: -127.511
where: short stacking energy: -54.164
Base-Backbone interact. energy: -0.363
local terms energy: -91.036422
where:
bonds (distance) C4'-P energy: -27.439
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -203.990460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.990460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.990460 (E_RNA)
where:
Base-Base interactions energy: -128.874
where: short stacking energy: -59.782
Base-Backbone interact. energy: -0.111
local terms energy: -75.005095
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -366.516829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.516829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.516829 (E_RNA)
where:
Base-Base interactions energy: -249.144
where: short stacking energy: -99.230
Base-Backbone interact. energy: -0.470
local terms energy: -116.903112
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -20.451
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: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -381.415239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.415239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.415239 (E_RNA)
where:
Base-Base interactions energy: -246.741
where: short stacking energy: -96.108
Base-Backbone interact. energy: -1.826
local terms energy: -132.848671
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -33.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -357.147776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.147776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.147776 (E_RNA)
where:
Base-Base interactions energy: -242.230
where: short stacking energy: -96.225
Base-Backbone interact. energy: -0.806
local terms energy: -114.111033
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -23.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -296.633876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.633876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.633876 (E_RNA)
where:
Base-Base interactions energy: -183.065
where: short stacking energy: -91.500
Base-Backbone interact. energy: -0.051
local terms energy: -113.517834
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -25.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -314.145764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.145764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.145764 (E_RNA)
where:
Base-Base interactions energy: -200.604
where: short stacking energy: -96.602
Base-Backbone interact. energy: 0.235
local terms energy: -113.776316
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -25.218
flat angles C4'-P-C4' energy: -29.320
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -27.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -306.631050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.631050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.631050 (E_RNA)
where:
Base-Base interactions energy: -200.002
where: short stacking energy: -96.033
Base-Backbone interact. energy: -0.149
local terms energy: -106.480392
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -27.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -256.022403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.022403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.022403 (E_RNA)
where:
Base-Base interactions energy: -153.557
where: short stacking energy: -75.751
Base-Backbone interact. energy: -0.254
local terms energy: -102.211420
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -222.840821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.840821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.840821 (E_RNA)
where:
Base-Base interactions energy: -126.855
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.257
local terms energy: -95.728928
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -13.943
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: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -173.529100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.529100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.529100 (E_RNA)
where:
Base-Base interactions energy: -93.426
where: short stacking energy: -40.615
Base-Backbone interact. energy: 1.019
local terms energy: -81.121222
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -2.880
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: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -238.861746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.861746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.861746 (E_RNA)
where:
Base-Base interactions energy: -143.679
where: short stacking energy: -60.758
Base-Backbone interact. energy: -0.316
local terms energy: -94.867107
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -377.821709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.821709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.821709 (E_RNA)
where:
Base-Base interactions energy: -254.988
where: short stacking energy: -107.631
Base-Backbone interact. energy: 0.086
local terms energy: -122.919506
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -26.280
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -30.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -355.550788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.550788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.550788 (E_RNA)
where:
Base-Base interactions energy: -229.085
where: short stacking energy: -119.738
Base-Backbone interact. energy: -0.298
local terms energy: -126.167159
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -33.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -353.208628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.208628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.208628 (E_RNA)
where:
Base-Base interactions energy: -241.099
where: short stacking energy: -95.786
Base-Backbone interact. energy: 1.085
local terms energy: -113.194292
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -21.147
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: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -302.668369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.668369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.668369 (E_RNA)
where:
Base-Base interactions energy: -186.091
where: short stacking energy: -100.107
Base-Backbone interact. energy: -1.474
local terms energy: -115.102618
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -25.758
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -32.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -307.907587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.907587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.907587 (E_RNA)
where:
Base-Base interactions energy: -198.813
where: short stacking energy: -100.367
Base-Backbone interact. energy: -0.307
local terms energy: -108.788383
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -27.718
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: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -262.392449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.392449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.392449 (E_RNA)
where:
Base-Base interactions energy: -170.729
where: short stacking energy: -71.956
Base-Backbone interact. energy: -0.122
local terms energy: -91.541340
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -11.727
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: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -257.893657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.893657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.893657 (E_RNA)
where:
Base-Base interactions energy: -166.257
where: short stacking energy: -72.577
Base-Backbone interact. energy: -0.873
local terms energy: -90.763750
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -16.165
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: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -240.937892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.937892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.937892 (E_RNA)
where:
Base-Base interactions energy: -145.919
where: short stacking energy: -57.855
Base-Backbone interact. energy: -1.249
local terms energy: -93.769530
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -11.951
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: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -229.906840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.906840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.906840 (E_RNA)
where:
Base-Base interactions energy: -144.752
where: short stacking energy: -61.434
Base-Backbone interact. energy: -0.904
local terms energy: -84.250175
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -18.839
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -170.484599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.484599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.484599 (E_RNA)
where:
Base-Base interactions energy: -88.041
where: short stacking energy: -42.125
Base-Backbone interact. energy: -0.411
local terms energy: -82.032915
where:
bonds (distance) C4'-P energy: -26.557
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -378.873916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.873916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.873916 (E_RNA)
where:
Base-Base interactions energy: -258.330
where: short stacking energy: -113.563
Base-Backbone interact. energy: -0.129
local terms energy: -120.415000
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -32.460
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: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -350.872995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.872995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.872995 (E_RNA)
where:
Base-Base interactions energy: -233.123
where: short stacking energy: -105.940
Base-Backbone interact. energy: -0.106
local terms energy: -117.644094
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -29.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -346.926433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.926433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.926433 (E_RNA)
where:
Base-Base interactions energy: -238.870
where: short stacking energy: -91.294
Base-Backbone interact. energy: 2.108
local terms energy: -110.164414
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -29.578
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -299.410892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.410892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.410892 (E_RNA)
where:
Base-Base interactions energy: -189.855
where: short stacking energy: -99.120
Base-Backbone interact. energy: -0.006
local terms energy: -109.550688
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -28.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -294.919579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.919579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.919579 (E_RNA)
where:
Base-Base interactions energy: -192.107
where: short stacking energy: -96.105
Base-Backbone interact. energy: -0.109
local terms energy: -102.703300
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -26.433
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -26.157
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: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -291.375943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.375943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.375943 (E_RNA)
where:
Base-Base interactions energy: -186.640
where: short stacking energy: -87.561
Base-Backbone interact. energy: 0.130
local terms energy: -104.866022
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -22.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -244.930248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.930248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.930248 (E_RNA)
where:
Base-Base interactions energy: -165.089
where: short stacking energy: -64.795
Base-Backbone interact. energy: -0.272
local terms energy: -79.568761
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -12.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -251.840903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.840903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.840903 (E_RNA)
where:
Base-Base interactions energy: -154.048
where: short stacking energy: -75.644
Base-Backbone interact. energy: 0.677
local terms energy: -98.469616
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -12.289
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: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -241.723984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.723984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.723984 (E_RNA)
where:
Base-Base interactions energy: -150.307
where: short stacking energy: -70.143
Base-Backbone interact. energy: -0.228
local terms energy: -91.189466
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -14.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -159.081752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.081752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.081752 (E_RNA)
where:
Base-Base interactions energy: -81.555
where: short stacking energy: -40.541
Base-Backbone interact. energy: -1.767
local terms energy: -75.759717
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: 2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -377.475712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.475712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.475712 (E_RNA)
where:
Base-Base interactions energy: -249.632
where: short stacking energy: -110.255
Base-Backbone interact. energy: -0.515
local terms energy: -127.328491
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -34.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -350.219505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.219505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.219505 (E_RNA)
where:
Base-Base interactions energy: -225.993
where: short stacking energy: -111.622
Base-Backbone interact. energy: -0.092
local terms energy: -124.134108
where:
bonds (distance) C4'-P energy: -25.076
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -31.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -364.409999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.409999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.409999 (E_RNA)
where:
Base-Base interactions energy: -255.280
where: short stacking energy: -103.333
Base-Backbone interact. energy: 1.030
local terms energy: -110.160235
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -279.420038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.420038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.420038 (E_RNA)
where:
Base-Base interactions energy: -182.869
where: short stacking energy: -86.456
Base-Backbone interact. energy: -0.831
local terms energy: -95.719864
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -25.935
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -300.409289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.409289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.409289 (E_RNA)
where:
Base-Base interactions energy: -186.761
where: short stacking energy: -91.881
Base-Backbone interact. energy: -0.198
local terms energy: -113.450964
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -30.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -280.441845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.441845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.441845 (E_RNA)
where:
Base-Base interactions energy: -178.716
where: short stacking energy: -85.873
Base-Backbone interact. energy: -0.702
local terms energy: -101.023301
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -19.588
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: 406
Temperature: 1.200000
Total energy: -244.778804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.778804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.778804 (E_RNA)
where:
Base-Base interactions energy: -149.157
where: short stacking energy: -74.779
Base-Backbone interact. energy: -0.408
local terms energy: -95.214395
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -238.007647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.007647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.007647 (E_RNA)
where:
Base-Base interactions energy: -148.117
where: short stacking energy: -63.077
Base-Backbone interact. energy: -0.063
local terms energy: -89.828394
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -13.536
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: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -236.955022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.955022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.955022 (E_RNA)
where:
Base-Base interactions energy: -140.271
where: short stacking energy: -66.750
Base-Backbone interact. energy: -0.394
local terms energy: -96.289762
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -12.210
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: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -120.199079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.199079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.199079 (E_RNA)
where:
Base-Base interactions energy: -47.511
where: short stacking energy: -37.295
Base-Backbone interact. energy: -0.661
local terms energy: -72.027113
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -386.239026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.239026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.239026 (E_RNA)
where:
Base-Base interactions energy: -257.716
where: short stacking energy: -111.782
Base-Backbone interact. energy: -0.641
local terms energy: -127.882659
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -31.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -375.826687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.826687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.826687 (E_RNA)
where:
Base-Base interactions energy: -258.982
where: short stacking energy: -106.324
Base-Backbone interact. energy: 0.548
local terms energy: -117.392462
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -24.069
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -16.941
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: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -347.674570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.674570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.674570 (E_RNA)
where:
Base-Base interactions energy: -225.253
where: short stacking energy: -109.130
Base-Backbone interact. energy: 0.242
local terms energy: -122.663914
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -26.025
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -36.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -295.734141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.734141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.734141 (E_RNA)
where:
Base-Base interactions energy: -178.699
where: short stacking energy: -82.878
Base-Backbone interact. energy: -0.201
local terms energy: -116.834251
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -26.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -282.275353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.275353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.275353 (E_RNA)
where:
Base-Base interactions energy: -176.708
where: short stacking energy: -89.940
Base-Backbone interact. energy: 0.337
local terms energy: -105.905188
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -280.893282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.893282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.893282 (E_RNA)
where:
Base-Base interactions energy: -171.095
where: short stacking energy: -70.549
Base-Backbone interact. energy: -0.192
local terms energy: -109.606715
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -26.510
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -11.703
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: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -243.907421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.907421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.907421 (E_RNA)
where:
Base-Base interactions energy: -143.996
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.640
local terms energy: -99.271089
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -14.676
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: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -249.875659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.875659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.875659 (E_RNA)
where:
Base-Base interactions energy: -155.996
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.240
local terms energy: -93.639912
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -239.081602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.081602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.081602 (E_RNA)
where:
Base-Base interactions energy: -138.229
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.287
local terms energy: -100.565256
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -124.752613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.752613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.752613 (E_RNA)
where:
Base-Base interactions energy: -61.027
where: short stacking energy: -27.839
Base-Backbone interact. energy: -0.304
local terms energy: -63.421507
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: 4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -375.641276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.641276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.641276 (E_RNA)
where:
Base-Base interactions energy: -254.974
where: short stacking energy: -106.282
Base-Backbone interact. energy: -0.161
local terms energy: -120.506128
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -27.150
flat angles C4'-P-C4' energy: -26.518
flat angles P-C4'-P energy: -21.243
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: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -370.164077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.164077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.164077 (E_RNA)
where:
Base-Base interactions energy: -254.088
where: short stacking energy: -101.879
Base-Backbone interact. energy: -0.368
local terms energy: -115.708004
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -28.208
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: 408
Temperature: 1.000000
Total energy: -339.435626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.435626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.435626 (E_RNA)
where:
Base-Base interactions energy: -227.039
where: short stacking energy: -99.608
Base-Backbone interact. energy: -0.177
local terms energy: -112.219548
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -31.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -299.138993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.138993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.138993 (E_RNA)
where:
Base-Base interactions energy: -188.769
where: short stacking energy: -94.765
Base-Backbone interact. energy: -0.041
local terms energy: -110.329425
where:
bonds (distance) C4'-P energy: -23.937
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -294.607477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.607477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.607477 (E_RNA)
where:
Base-Base interactions energy: -182.933
where: short stacking energy: -89.909
Base-Backbone interact. energy: -1.161
local terms energy: -110.513688
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -28.606
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: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -254.710590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.710590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.710590 (E_RNA)
where:
Base-Base interactions energy: -158.966
where: short stacking energy: -63.869
Base-Backbone interact. energy: 0.826
local terms energy: -96.570496
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -261.505870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.505870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.505870 (E_RNA)
where:
Base-Base interactions energy: -174.218
where: short stacking energy: -77.815
Base-Backbone interact. energy: -0.720
local terms energy: -86.567880
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -223.135121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.135121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.135121 (E_RNA)
where:
Base-Base interactions energy: -132.422
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.386
local terms energy: -90.327367
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -261.225760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.225760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.225760 (E_RNA)
where:
Base-Base interactions energy: -164.327
where: short stacking energy: -85.052
Base-Backbone interact. energy: -0.350
local terms energy: -96.548488
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -24.606
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -108.092595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.092595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.092595 (E_RNA)
where:
Base-Base interactions energy: -45.547
where: short stacking energy: -33.813
Base-Backbone interact. energy: -0.586
local terms energy: -61.959065
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -379.641514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.641514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.641514 (E_RNA)
where:
Base-Base interactions energy: -261.075
where: short stacking energy: -111.312
Base-Backbone interact. energy: -0.055
local terms energy: -118.510578
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -28.106
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: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -366.334000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.334000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.334000 (E_RNA)
where:
Base-Base interactions energy: -247.698
where: short stacking energy: -107.852
Base-Backbone interact. energy: 0.005
local terms energy: -118.641218
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -34.109
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: 409
Temperature: 1.000000
Total energy: -356.061205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.061205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.061205 (E_RNA)
where:
Base-Base interactions energy: -229.588
where: short stacking energy: -104.957
Base-Backbone interact. energy: -0.085
local terms energy: -126.388554
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -16.989
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: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -315.312270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.312270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.312270 (E_RNA)
where:
Base-Base interactions energy: -206.588
where: short stacking energy: -88.816
Base-Backbone interact. energy: -1.193
local terms energy: -107.530863
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -292.244549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.244549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.244549 (E_RNA)
where:
Base-Base interactions energy: -189.945
where: short stacking energy: -82.320
Base-Backbone interact. energy: -0.485
local terms energy: -101.814308
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -257.707159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.707159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.707159 (E_RNA)
where:
Base-Base interactions energy: -155.544
where: short stacking energy: -66.146
Base-Backbone interact. energy: 0.299
local terms energy: -102.462383
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -263.638372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.638372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.638372 (E_RNA)
where:
Base-Base interactions energy: -168.817
where: short stacking energy: -77.953
Base-Backbone interact. energy: -1.440
local terms energy: -93.381348
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -246.773387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.773387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.773387 (E_RNA)
where:
Base-Base interactions energy: -167.445
where: short stacking energy: -63.202
Base-Backbone interact. energy: 0.318
local terms energy: -79.646165
where:
bonds (distance) C4'-P energy: -24.415
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -227.808649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.808649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.808649 (E_RNA)
where:
Base-Base interactions energy: -146.688
where: short stacking energy: -60.066
Base-Backbone interact. energy: 2.023
local terms energy: -83.143644
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -118.360664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.360664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.360664 (E_RNA)
where:
Base-Base interactions energy: -49.150
where: short stacking energy: -35.220
Base-Backbone interact. energy: 1.213
local terms energy: -70.424307
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -25.903
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: 4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -384.557565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.557565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.557565 (E_RNA)
where:
Base-Base interactions energy: -255.320
where: short stacking energy: -105.187
Base-Backbone interact. energy: -0.323
local terms energy: -128.915089
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -32.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -375.158171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.158171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.158171 (E_RNA)
where:
Base-Base interactions energy: -263.168
where: short stacking energy: -94.674
Base-Backbone interact. energy: -0.414
local terms energy: -111.575924
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -27.795
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -354.535209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.535209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.535209 (E_RNA)
where:
Base-Base interactions energy: -228.078
where: short stacking energy: -110.733
Base-Backbone interact. energy: -0.111
local terms energy: -126.346462
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -27.915
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: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -303.782371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.782371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.782371 (E_RNA)
where:
Base-Base interactions energy: -191.023
where: short stacking energy: -92.676
Base-Backbone interact. energy: -0.314
local terms energy: -112.445620
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -289.601136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.601136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.601136 (E_RNA)
where:
Base-Base interactions energy: -188.586
where: short stacking energy: -79.915
Base-Backbone interact. energy: -0.795
local terms energy: -100.220586
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -27.130
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -20.038
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: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -289.871282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.871282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.871282 (E_RNA)
where:
Base-Base interactions energy: -184.946
where: short stacking energy: -80.507
Base-Backbone interact. energy: -0.123
local terms energy: -104.802643
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -260.994949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.994949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.994949 (E_RNA)
where:
Base-Base interactions energy: -163.586
where: short stacking energy: -74.448
Base-Backbone interact. energy: -0.108
local terms energy: -97.301012
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -23.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -248.942604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.942604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.942604 (E_RNA)
where:
Base-Base interactions energy: -160.062
where: short stacking energy: -77.723
Base-Backbone interact. energy: -0.029
local terms energy: -88.851288
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -231.321406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.321406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.321406 (E_RNA)
where:
Base-Base interactions energy: -149.177
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.562
local terms energy: -81.582499
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -112.474215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.474215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.474215 (E_RNA)
where:
Base-Base interactions energy: -44.469
where: short stacking energy: -31.794
Base-Backbone interact. energy: -0.934
local terms energy: -67.071264
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: 0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -372.613119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.613119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.613119 (E_RNA)
where:
Base-Base interactions energy: -254.758
where: short stacking energy: -111.127
Base-Backbone interact. energy: -0.665
local terms energy: -117.189964
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -356.767198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.767198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.767198 (E_RNA)
where:
Base-Base interactions energy: -226.947
where: short stacking energy: -108.595
Base-Backbone interact. energy: 0.170
local terms energy: -129.990195
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -22.735
tors. eta vs tors. theta energy: -33.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -355.371084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.371084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.371084 (E_RNA)
where:
Base-Base interactions energy: -243.079
where: short stacking energy: -93.971
Base-Backbone interact. energy: 0.341
local terms energy: -112.633789
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -23.724
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: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -292.134484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.134484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.134484 (E_RNA)
where:
Base-Base interactions energy: -183.988
where: short stacking energy: -87.854
Base-Backbone interact. energy: -0.744
local terms energy: -107.402457
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -26.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -294.935010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.935010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.935010 (E_RNA)
where:
Base-Base interactions energy: -186.137
where: short stacking energy: -95.463
Base-Backbone interact. energy: -0.218
local terms energy: -108.579920
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -27.789
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: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -262.986853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.986853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.986853 (E_RNA)
where:
Base-Base interactions energy: -171.337
where: short stacking energy: -68.496
Base-Backbone interact. energy: -0.945
local terms energy: -90.704708
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -275.523834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.523834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.523834 (E_RNA)
where:
Base-Base interactions energy: -170.439
where: short stacking energy: -64.716
Base-Backbone interact. energy: -1.136
local terms energy: -103.948855
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -210.184166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.184166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.184166 (E_RNA)
where:
Base-Base interactions energy: -124.953
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.308
local terms energy: -84.923017
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -8.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -224.629845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.629845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.629845 (E_RNA)
where:
Base-Base interactions energy: -136.577
where: short stacking energy: -58.276
Base-Backbone interact. energy: -0.011
local terms energy: -88.042415
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -108.955775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.955775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.955775 (E_RNA)
where:
Base-Base interactions energy: -44.480
where: short stacking energy: -31.767
Base-Backbone interact. energy: 1.689
local terms energy: -66.164184
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: 2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -375.126346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.126346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.126346 (E_RNA)
where:
Base-Base interactions energy: -255.787
where: short stacking energy: -114.823
Base-Backbone interact. energy: 2.873
local terms energy: -122.212339
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -33.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -361.686674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.686674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.686674 (E_RNA)
where:
Base-Base interactions energy: -246.789
where: short stacking energy: -111.971
Base-Backbone interact. energy: -1.567
local terms energy: -113.331168
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -32.058
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: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -350.025962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.025962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.025962 (E_RNA)
where:
Base-Base interactions energy: -240.291
where: short stacking energy: -94.388
Base-Backbone interact. energy: -0.067
local terms energy: -109.667887
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -287.925225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.925225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.925225 (E_RNA)
where:
Base-Base interactions energy: -184.312
where: short stacking energy: -93.389
Base-Backbone interact. energy: -0.110
local terms energy: -103.503774
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -12.823
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: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -296.306577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.306577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.306577 (E_RNA)
where:
Base-Base interactions energy: -183.871
where: short stacking energy: -82.622
Base-Backbone interact. energy: -0.326
local terms energy: -112.109327
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -276.608407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.608407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.608407 (E_RNA)
where:
Base-Base interactions energy: -180.688
where: short stacking energy: -76.356
Base-Backbone interact. energy: -0.782
local terms energy: -95.138521
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -19.124
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: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -260.589814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.589814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.589814 (E_RNA)
where:
Base-Base interactions energy: -169.660
where: short stacking energy: -73.537
Base-Backbone interact. energy: -0.054
local terms energy: -90.875697
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -17.033
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: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -252.564238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.564238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.564238 (E_RNA)
where:
Base-Base interactions energy: -153.898
where: short stacking energy: -73.700
Base-Backbone interact. energy: -0.045
local terms energy: -98.620918
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -13.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -236.988829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.988829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.988829 (E_RNA)
where:
Base-Base interactions energy: -152.790
where: short stacking energy: -74.031
Base-Backbone interact. energy: -0.217
local terms energy: -83.981438
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -8.131
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -115.690724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.690724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.690724 (E_RNA)
where:
Base-Base interactions energy: -45.007
where: short stacking energy: -43.946
Base-Backbone interact. energy: -0.243
local terms energy: -70.441056
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -377.314939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.314939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.314939 (E_RNA)
where:
Base-Base interactions energy: -248.911
where: short stacking energy: -103.269
Base-Backbone interact. energy: -0.622
local terms energy: -127.781705
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -34.082
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: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -373.913455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.913455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.913455 (E_RNA)
where:
Base-Base interactions energy: -267.302
where: short stacking energy: -101.505
Base-Backbone interact. energy: -0.419
local terms energy: -106.192254
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -27.829
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: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -337.692145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.692145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.692145 (E_RNA)
where:
Base-Base interactions energy: -221.582
where: short stacking energy: -105.447
Base-Backbone interact. energy: -0.507
local terms energy: -115.603994
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -28.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -288.442414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.442414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.442414 (E_RNA)
where:
Base-Base interactions energy: -181.139
where: short stacking energy: -88.883
Base-Backbone interact. energy: -0.509
local terms energy: -106.794609
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -289.298037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.298037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.298037 (E_RNA)
where:
Base-Base interactions energy: -174.589
where: short stacking energy: -93.906
Base-Backbone interact. energy: -0.222
local terms energy: -114.486655
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -27.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -291.135842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.135842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.135842 (E_RNA)
where:
Base-Base interactions energy: -185.411
where: short stacking energy: -89.657
Base-Backbone interact. energy: -0.296
local terms energy: -105.428791
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -25.845
flat angles C4'-P-C4' energy: -24.569
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -271.081820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.081820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.081820 (E_RNA)
where:
Base-Base interactions energy: -169.513
where: short stacking energy: -73.300
Base-Backbone interact. energy: -0.228
local terms energy: -101.340878
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -244.428003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.428003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.428003 (E_RNA)
where:
Base-Base interactions energy: -153.088
where: short stacking energy: -73.340
Base-Backbone interact. energy: 1.129
local terms energy: -92.469492
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -244.907434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.907434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.907434 (E_RNA)
where:
Base-Base interactions energy: -160.561
where: short stacking energy: -62.722
Base-Backbone interact. energy: 1.569
local terms energy: -85.915210
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -23.724
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -17.050
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: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -113.429266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.429266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.429266 (E_RNA)
where:
Base-Base interactions energy: -30.649
where: short stacking energy: -30.649
Base-Backbone interact. energy: 1.540
local terms energy: -84.319536
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -27.985
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -393.030388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.030388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.030388 (E_RNA)
where:
Base-Base interactions energy: -285.051
where: short stacking energy: -105.563
Base-Backbone interact. energy: -2.022
local terms energy: -105.957297
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -16.768
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: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -371.344345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.344345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.344345 (E_RNA)
where:
Base-Base interactions energy: -242.815
where: short stacking energy: -110.239
Base-Backbone interact. energy: 0.178
local terms energy: -128.707445
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -27.468
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -35.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -327.263566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.263566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.263566 (E_RNA)
where:
Base-Base interactions energy: -224.317
where: short stacking energy: -94.512
Base-Backbone interact. energy: -0.498
local terms energy: -102.448377
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -26.845
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: 4, replica: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -276.997607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.997607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.997607 (E_RNA)
where:
Base-Base interactions energy: -165.858
where: short stacking energy: -77.072
Base-Backbone interact. energy: -0.396
local terms energy: -110.743918
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -28.328
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -296.846245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.846245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.846245 (E_RNA)
where:
Base-Base interactions energy: -188.436
where: short stacking energy: -80.081
Base-Backbone interact. energy: -0.415
local terms energy: -107.995214
where:
bonds (distance) C4'-P energy: -24.715
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -288.704209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.704209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.704209 (E_RNA)
where:
Base-Base interactions energy: -183.952
where: short stacking energy: -84.066
Base-Backbone interact. energy: -0.344
local terms energy: -104.408868
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -30.320
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: 7, replica: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -276.543370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.543370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.543370 (E_RNA)
where:
Base-Base interactions energy: -182.420
where: short stacking energy: -75.265
Base-Backbone interact. energy: 0.227
local terms energy: -94.350140
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -241.470718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.470718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.470718 (E_RNA)
where:
Base-Base interactions energy: -159.161
where: short stacking energy: -75.521
Base-Backbone interact. energy: -0.589
local terms energy: -81.720557
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -134.694407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.694407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.694407 (E_RNA)
where:
Base-Base interactions energy: -59.210
where: short stacking energy: -42.093
Base-Backbone interact. energy: -0.259
local terms energy: -75.225588
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -220.360454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.360454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.360454 (E_RNA)
where:
Base-Base interactions energy: -133.188
where: short stacking energy: -64.965
Base-Backbone interact. energy: -0.353
local terms energy: -86.819780
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -405.654081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.654081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.654081 (E_RNA)
where:
Base-Base interactions energy: -290.319
where: short stacking energy: -102.522
Base-Backbone interact. energy: -0.164
local terms energy: -115.171019
where:
bonds (distance) C4'-P energy: -27.841
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -368.270703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.270703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.270703 (E_RNA)
where:
Base-Base interactions energy: -247.091
where: short stacking energy: -100.460
Base-Backbone interact. energy: -0.121
local terms energy: -121.058522
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -29.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -334.927365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.927365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.927365 (E_RNA)
where:
Base-Base interactions energy: -212.797
where: short stacking energy: -103.522
Base-Backbone interact. energy: -0.041
local terms energy: -122.089229
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -29.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -272.354032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.354032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.354032 (E_RNA)
where:
Base-Base interactions energy: -166.921
where: short stacking energy: -73.472
Base-Backbone interact. energy: 0.756
local terms energy: -106.188429
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -277.018569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.018569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.018569 (E_RNA)
where:
Base-Base interactions energy: -181.216
where: short stacking energy: -86.057
Base-Backbone interact. energy: -0.299
local terms energy: -95.503111
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -295.234576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.234576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.234576 (E_RNA)
where:
Base-Base interactions energy: -191.505
where: short stacking energy: -95.405
Base-Backbone interact. energy: -0.139
local terms energy: -103.590515
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -273.211196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.211196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.211196 (E_RNA)
where:
Base-Base interactions energy: -171.930
where: short stacking energy: -70.777
Base-Backbone interact. energy: -0.069
local terms energy: -101.212332
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -13.015
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: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -256.994944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.994944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.994944 (E_RNA)
where:
Base-Base interactions energy: -166.226
where: short stacking energy: -77.040
Base-Backbone interact. energy: 0.050
local terms energy: -90.818820
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -126.106760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.106760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.106760 (E_RNA)
where:
Base-Base interactions energy: -44.623
where: short stacking energy: -39.969
Base-Backbone interact. energy: -0.286
local terms energy: -81.197538
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -223.161695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.161695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.161695 (E_RNA)
where:
Base-Base interactions energy: -136.433
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.139
local terms energy: -86.589496
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -12.807
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: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -382.814012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.814012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.814012 (E_RNA)
where:
Base-Base interactions energy: -264.667
where: short stacking energy: -107.295
Base-Backbone interact. energy: -0.038
local terms energy: -118.108539
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -26.141
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -27.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -389.532926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.532926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.532926 (E_RNA)
where:
Base-Base interactions energy: -276.840
where: short stacking energy: -103.071
Base-Backbone interact. energy: -0.264
local terms energy: -112.428812
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -17.751
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: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -337.237014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.237014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.237014 (E_RNA)
where:
Base-Base interactions energy: -214.201
where: short stacking energy: -101.434
Base-Backbone interact. energy: -0.507
local terms energy: -122.528316
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -26.880
flat angles P-C4'-P energy: -16.319
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: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -290.493727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.493727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.493727 (E_RNA)
where:
Base-Base interactions energy: -186.671
where: short stacking energy: -84.168
Base-Backbone interact. energy: -0.372
local terms energy: -103.450344
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -24.389
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: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -272.220036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.220036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.220036 (E_RNA)
where:
Base-Base interactions energy: -165.982
where: short stacking energy: -81.270
Base-Backbone interact. energy: -0.565
local terms energy: -105.672500
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -17.148
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: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -276.337826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.337826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.337826 (E_RNA)
where:
Base-Base interactions energy: -174.461
where: short stacking energy: -82.053
Base-Backbone interact. energy: -1.846
local terms energy: -100.030622
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -26.304
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -279.034021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.034021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.034021 (E_RNA)
where:
Base-Base interactions energy: -179.438
where: short stacking energy: -75.580
Base-Backbone interact. energy: -0.274
local terms energy: -99.322107
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -245.308820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.308820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.308820 (E_RNA)
where:
Base-Base interactions energy: -151.251
where: short stacking energy: -64.725
Base-Backbone interact. energy: -0.239
local terms energy: -93.818605
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -182.058207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.058207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.058207 (E_RNA)
where:
Base-Base interactions energy: -113.747
where: short stacking energy: -44.818
Base-Backbone interact. energy: -0.304
local terms energy: -68.006226
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -0.667
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: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -115.952701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.952701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.952701 (E_RNA)
where:
Base-Base interactions energy: -47.301
where: short stacking energy: -33.407
Base-Backbone interact. energy: -0.852
local terms energy: -67.800215
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -14.426
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: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -380.788718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.788718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.788718 (E_RNA)
where:
Base-Base interactions energy: -261.237
where: short stacking energy: -107.308
Base-Backbone interact. energy: -0.481
local terms energy: -119.071068
where:
bonds (distance) C4'-P energy: -22.642
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -31.050
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: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -395.030844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.030844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.030844 (E_RNA)
where:
Base-Base interactions energy: -284.718
where: short stacking energy: -99.317
Base-Backbone interact. energy: 0.066
local terms energy: -110.378837
where:
bonds (distance) C4'-P energy: -20.461
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -23.991
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -23.590
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: 3, replica: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -345.275987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.275987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.275987 (E_RNA)
where:
Base-Base interactions energy: -229.878
where: short stacking energy: -108.100
Base-Backbone interact. energy: -0.261
local terms energy: -115.137282
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -29.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -282.270782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.270782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.270782 (E_RNA)
where:
Base-Base interactions energy: -180.614
where: short stacking energy: -79.017
Base-Backbone interact. energy: -0.024
local terms energy: -101.632109
where:
bonds (distance) C4'-P energy: -24.302
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -272.449522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.449522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.449522 (E_RNA)
where:
Base-Base interactions energy: -185.992
where: short stacking energy: -91.089
Base-Backbone interact. energy: -0.170
local terms energy: -86.287032
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -289.965671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.965671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.965671 (E_RNA)
where:
Base-Base interactions energy: -190.843
where: short stacking energy: -75.614
Base-Backbone interact. energy: -0.467
local terms energy: -98.655706
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -7.543
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: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -254.318624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.318624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.318624 (E_RNA)
where:
Base-Base interactions energy: -159.242
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.268
local terms energy: -94.809424
where:
bonds (distance) C4'-P energy: -22.886
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -184.860776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.860776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.860776 (E_RNA)
where:
Base-Base interactions energy: -99.904
where: short stacking energy: -42.922
Base-Backbone interact. energy: -1.525
local terms energy: -83.431645
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -14.821
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: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -246.795680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.795680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.795680 (E_RNA)
where:
Base-Base interactions energy: -155.654
where: short stacking energy: -71.211
Base-Backbone interact. energy: 0.307
local terms energy: -91.448660
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -15.075
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: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -114.729569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.729569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.729569 (E_RNA)
where:
Base-Base interactions energy: -42.102
where: short stacking energy: -33.668
Base-Backbone interact. energy: -0.472
local terms energy: -72.156192
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: 3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -383.297689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.297689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.297689 (E_RNA)
where:
Base-Base interactions energy: -252.883
where: short stacking energy: -101.148
Base-Backbone interact. energy: -0.431
local terms energy: -129.984049
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -27.708
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -32.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -370.489232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.489232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.489232 (E_RNA)
where:
Base-Base interactions energy: -247.622
where: short stacking energy: -95.579
Base-Backbone interact. energy: -0.548
local terms energy: -122.319399
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -25.522
flat angles C4'-P-C4' energy: -27.917
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -25.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -351.397406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.397406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.397406 (E_RNA)
where:
Base-Base interactions energy: -225.074
where: short stacking energy: -108.855
Base-Backbone interact. energy: 0.352
local terms energy: -126.675556
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -33.045
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: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -316.399769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.399769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.399769 (E_RNA)
where:
Base-Base interactions energy: -202.952
where: short stacking energy: -99.882
Base-Backbone interact. energy: 0.450
local terms energy: -113.897830
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -26.054
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: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -294.189970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.189970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.189970 (E_RNA)
where:
Base-Base interactions energy: -179.837
where: short stacking energy: -92.543
Base-Backbone interact. energy: -0.568
local terms energy: -113.785252
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -28.628
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -266.891134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.891134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.891134 (E_RNA)
where:
Base-Base interactions energy: -165.604
where: short stacking energy: -71.777
Base-Backbone interact. energy: -0.735
local terms energy: -100.552111
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -229.323574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.323574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.323574 (E_RNA)
where:
Base-Base interactions energy: -143.371
where: short stacking energy: -62.080
Base-Backbone interact. energy: -0.544
local terms energy: -85.408593
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -182.899659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.899659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.899659 (E_RNA)
where:
Base-Base interactions energy: -105.700
where: short stacking energy: -43.168
Base-Backbone interact. energy: -1.188
local terms energy: -76.011934
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: 2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -245.438668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.438668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.438668 (E_RNA)
where:
Base-Base interactions energy: -157.936
where: short stacking energy: -65.883
Base-Backbone interact. energy: 0.012
local terms energy: -87.514419
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -118.409608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.409608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.409608 (E_RNA)
where:
Base-Base interactions energy: -46.706
where: short stacking energy: -39.703
Base-Backbone interact. energy: -0.397
local terms energy: -71.307451
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: 1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -381.548360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.548360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.548360 (E_RNA)
where:
Base-Base interactions energy: -254.790
where: short stacking energy: -108.752
Base-Backbone interact. energy: -0.030
local terms energy: -126.727683
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -35.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -385.923591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.923591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.923591 (E_RNA)
where:
Base-Base interactions energy: -271.498
where: short stacking energy: -100.041
Base-Backbone interact. energy: -0.104
local terms energy: -114.321949
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -20.161
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: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -350.964118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.964118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.964118 (E_RNA)
where:
Base-Base interactions energy: -221.441
where: short stacking energy: -104.364
Base-Backbone interact. energy: 0.419
local terms energy: -129.941622
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -24.721
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -35.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -304.271477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.271477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.271477 (E_RNA)
where:
Base-Base interactions energy: -197.981
where: short stacking energy: -90.256
Base-Backbone interact. energy: -0.474
local terms energy: -105.816775
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -300.751496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.751496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.751496 (E_RNA)
where:
Base-Base interactions energy: -183.349
where: short stacking energy: -87.976
Base-Backbone interact. energy: -0.021
local terms energy: -117.380605
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -26.772
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -26.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -262.853096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.853096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.853096 (E_RNA)
where:
Base-Base interactions energy: -171.658
where: short stacking energy: -76.048
Base-Backbone interact. energy: -0.094
local terms energy: -91.100924
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -249.361548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.361548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.361548 (E_RNA)
where:
Base-Base interactions energy: -151.933
where: short stacking energy: -61.416
Base-Backbone interact. energy: 2.338
local terms energy: -99.765776
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -236.400002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.400002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.400002 (E_RNA)
where:
Base-Base interactions energy: -136.086
where: short stacking energy: -63.933
Base-Backbone interact. energy: 0.730
local terms energy: -101.043430
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -19.643
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: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -198.374713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.374713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.374713 (E_RNA)
where:
Base-Base interactions energy: -113.794
where: short stacking energy: -48.115
Base-Backbone interact. energy: -0.978
local terms energy: -83.603053
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -120.608469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.608469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.608469 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.743
local terms energy: -78.906442
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -13.919
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: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -384.814195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.814195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.814195 (E_RNA)
where:
Base-Base interactions energy: -272.091
where: short stacking energy: -94.715
Base-Backbone interact. energy: -0.252
local terms energy: -112.471034
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -27.109
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -364.932039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.932039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.932039 (E_RNA)
where:
Base-Base interactions energy: -238.188
where: short stacking energy: -105.588
Base-Backbone interact. energy: -0.075
local terms energy: -126.669759
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -25.613
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -34.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -300.181195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.181195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.181195 (E_RNA)
where:
Base-Base interactions energy: -192.099
where: short stacking energy: -92.978
Base-Backbone interact. energy: 3.429
local terms energy: -111.511673
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -24.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -344.502596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.502596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.502596 (E_RNA)
where:
Base-Base interactions energy: -221.137
where: short stacking energy: -105.841
Base-Backbone interact. energy: 1.609
local terms energy: -124.974534
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -27.388
flat angles C4'-P-C4' energy: -28.023
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -32.378
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: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -303.260446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.260446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.260446 (E_RNA)
where:
Base-Base interactions energy: -191.437
where: short stacking energy: -95.679
Base-Backbone interact. energy: -0.004
local terms energy: -111.819881
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -19.371
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: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -300.533614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.533614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.533614 (E_RNA)
where:
Base-Base interactions energy: -186.498
where: short stacking energy: -92.440
Base-Backbone interact. energy: -0.380
local terms energy: -113.655828
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -19.199
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: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -257.836422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.836422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.836422 (E_RNA)
where:
Base-Base interactions energy: -162.873
where: short stacking energy: -72.641
Base-Backbone interact. energy: -0.416
local terms energy: -94.547417
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -14.458
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: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -247.191273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.191273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.191273 (E_RNA)
where:
Base-Base interactions energy: -148.605
where: short stacking energy: -72.056
Base-Backbone interact. energy: -0.275
local terms energy: -98.310646
where:
bonds (distance) C4'-P energy: -26.818
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -180.417011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.417011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.417011 (E_RNA)
where:
Base-Base interactions energy: -117.858
where: short stacking energy: -61.655
Base-Backbone interact. energy: 0.693
local terms energy: -63.251996
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -24.919
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -2.631
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: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -119.120289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.120289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.120289 (E_RNA)
where:
Base-Base interactions energy: -40.123
where: short stacking energy: -40.423
Base-Backbone interact. energy: 0.238
local terms energy: -79.234636
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -396.292589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.292589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.292589 (E_RNA)
where:
Base-Base interactions energy: -272.570
where: short stacking energy: -93.917
Base-Backbone interact. energy: -1.639
local terms energy: -122.083027
where:
bonds (distance) C4'-P energy: -27.534
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -16.713
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: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -367.210883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.210883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.210883 (E_RNA)
where:
Base-Base interactions energy: -240.899
where: short stacking energy: -104.694
Base-Backbone interact. energy: -0.064
local terms energy: -126.248334
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -31.500
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: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -313.890265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.890265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.890265 (E_RNA)
where:
Base-Base interactions energy: -194.512
where: short stacking energy: -81.053
Base-Backbone interact. energy: -0.265
local terms energy: -119.113472
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -19.990
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: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -287.949297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.949297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.949297 (E_RNA)
where:
Base-Base interactions energy: -181.696
where: short stacking energy: -80.055
Base-Backbone interact. energy: -0.736
local terms energy: -105.518056
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -334.335229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.335229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.335229 (E_RNA)
where:
Base-Base interactions energy: -215.839
where: short stacking energy: -90.927
Base-Backbone interact. energy: -0.236
local terms energy: -118.259987
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -14.978
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: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -281.688207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.688207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.688207 (E_RNA)
where:
Base-Base interactions energy: -174.824
where: short stacking energy: -83.751
Base-Backbone interact. energy: -0.817
local terms energy: -106.046678
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -11.897
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: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -264.157537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.157537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.157537 (E_RNA)
where:
Base-Base interactions energy: -157.816
where: short stacking energy: -80.683
Base-Backbone interact. energy: -0.102
local terms energy: -106.238867
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -25.483
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -238.748734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.748734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.748734 (E_RNA)
where:
Base-Base interactions energy: -154.637
where: short stacking energy: -71.296
Base-Backbone interact. energy: -1.284
local terms energy: -82.827883
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -198.456032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.456032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.456032 (E_RNA)
where:
Base-Base interactions energy: -118.935
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.094
local terms energy: -79.426798
where:
bonds (distance) C4'-P energy: -8.038
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -130.858259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.858259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.858259 (E_RNA)
where:
Base-Base interactions energy: -47.298
where: short stacking energy: -45.133
Base-Backbone interact. energy: 0.207
local terms energy: -83.767094
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -8.384
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: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -383.377298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.377298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.377298 (E_RNA)
where:
Base-Base interactions energy: -250.387
where: short stacking energy: -112.268
Base-Backbone interact. energy: -0.336
local terms energy: -132.654367
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -34.309
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: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -387.002029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.002029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.002029 (E_RNA)
where:
Base-Base interactions energy: -278.774
where: short stacking energy: -104.530
Base-Backbone interact. energy: 1.124
local terms energy: -109.352240
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -295.097575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.097575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.097575 (E_RNA)
where:
Base-Base interactions energy: -184.530
where: short stacking energy: -86.938
Base-Backbone interact. energy: -0.170
local terms energy: -110.397240
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -20.252
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -294.877609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.877609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.877609 (E_RNA)
where:
Base-Base interactions energy: -191.207
where: short stacking energy: -83.151
Base-Backbone interact. energy: -0.688
local terms energy: -102.981967
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -11.835
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: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -317.637081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.637081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.637081 (E_RNA)
where:
Base-Base interactions energy: -212.721
where: short stacking energy: -92.414
Base-Backbone interact. energy: -0.115
local terms energy: -104.800685
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: -26.247
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: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -267.478900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.478900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.478900 (E_RNA)
where:
Base-Base interactions energy: -167.660
where: short stacking energy: -75.617
Base-Backbone interact. energy: -0.079
local terms energy: -99.740380
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -17.222
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: 7, replica: 7
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -279.183369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.183369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.183369 (E_RNA)
where:
Base-Base interactions energy: -175.652
where: short stacking energy: -79.693
Base-Backbone interact. energy: -1.000
local terms energy: -102.531324
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -18.858
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: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -240.339109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.339109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.339109 (E_RNA)
where:
Base-Base interactions energy: -142.666
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.303
local terms energy: -97.370354
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -215.714622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.714622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.714622 (E_RNA)
where:
Base-Base interactions energy: -127.703
where: short stacking energy: -62.047
Base-Backbone interact. energy: 0.754
local terms energy: -88.766168
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -9.528
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: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -114.186924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.186924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.186924 (E_RNA)
where:
Base-Base interactions energy: -43.074
where: short stacking energy: -33.150
Base-Backbone interact. energy: -1.462
local terms energy: -69.650834
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: 1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -352.479076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.479076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.479076 (E_RNA)
where:
Base-Base interactions energy: -230.608
where: short stacking energy: -85.738
Base-Backbone interact. energy: -1.570
local terms energy: -120.301286
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -25.701
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -27.176
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: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -386.721935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.721935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.721935 (E_RNA)
where:
Base-Base interactions energy: -271.050
where: short stacking energy: -95.124
Base-Backbone interact. energy: -0.595
local terms energy: -115.077337
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -27.844
flat angles P-C4'-P energy: -16.400
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: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -318.494598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.494598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.494598 (E_RNA)
where:
Base-Base interactions energy: -195.602
where: short stacking energy: -99.301
Base-Backbone interact. energy: -0.171
local terms energy: -122.721458
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -19.488
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: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -331.296689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.296689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.296689 (E_RNA)
where:
Base-Base interactions energy: -223.629
where: short stacking energy: -108.804
Base-Backbone interact. energy: -0.551
local terms energy: -107.116666
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -29.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -292.172547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.172547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.172547 (E_RNA)
where:
Base-Base interactions energy: -192.720
where: short stacking energy: -97.921
Base-Backbone interact. energy: 0.214
local terms energy: -99.665854
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -283.343102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.343102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.343102 (E_RNA)
where:
Base-Base interactions energy: -172.389
where: short stacking energy: -82.197
Base-Backbone interact. energy: -0.117
local terms energy: -110.836961
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -23.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -268.714067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.714067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.714067 (E_RNA)
where:
Base-Base interactions energy: -177.343
where: short stacking energy: -76.427
Base-Backbone interact. energy: -0.106
local terms energy: -91.265142
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -219.156609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.156609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.156609 (E_RNA)
where:
Base-Base interactions energy: -135.758
where: short stacking energy: -60.076
Base-Backbone interact. energy: -0.096
local terms energy: -83.303058
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -14.532
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: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -227.564405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.564405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.564405 (E_RNA)
where:
Base-Base interactions energy: -129.059
where: short stacking energy: -63.525
Base-Backbone interact. energy: -0.871
local terms energy: -97.634546
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -11.714
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: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -122.491436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.491436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.491436 (E_RNA)
where:
Base-Base interactions energy: -39.236
where: short stacking energy: -35.746
Base-Backbone interact. energy: -0.117
local terms energy: -83.137650
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: 0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -398.863000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.863000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.863000 (E_RNA)
where:
Base-Base interactions energy: -283.606
where: short stacking energy: -101.355
Base-Backbone interact. energy: 0.556
local terms energy: -115.813279
where:
bonds (distance) C4'-P energy: -25.817
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -27.989
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -362.058787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.058787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.058787 (E_RNA)
where:
Base-Base interactions energy: -230.551
where: short stacking energy: -104.005
Base-Backbone interact. energy: -0.561
local terms energy: -130.946958
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -28.661
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -32.933
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: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -347.929255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.929255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.929255 (E_RNA)
where:
Base-Base interactions energy: -229.731
where: short stacking energy: -111.395
Base-Backbone interact. energy: 0.340
local terms energy: -118.538123
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -27.791
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -34.015
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: 424
Temperature: 1.050000
Total energy: -302.724947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.724947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.724947 (E_RNA)
where:
Base-Base interactions energy: -191.089
where: short stacking energy: -88.350
Base-Backbone interact. energy: -0.256
local terms energy: -111.379961
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -294.622868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.622868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.622868 (E_RNA)
where:
Base-Base interactions energy: -188.132
where: short stacking energy: -95.995
Base-Backbone interact. energy: 2.505
local terms energy: -108.996120
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -31.039
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: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -278.278952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.278952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.278952 (E_RNA)
where:
Base-Base interactions energy: -171.869
where: short stacking energy: -76.066
Base-Backbone interact. energy: -0.490
local terms energy: -105.919678
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -267.584159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.584159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.584159 (E_RNA)
where:
Base-Base interactions energy: -165.172
where: short stacking energy: -85.297
Base-Backbone interact. energy: -0.240
local terms energy: -102.171418
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -21.180
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -14.489
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: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -239.891429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.891429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.891429 (E_RNA)
where:
Base-Base interactions energy: -155.804
where: short stacking energy: -67.380
Base-Backbone interact. energy: 0.523
local terms energy: -84.610545
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -10.310
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: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -123.296501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.296501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.296501 (E_RNA)
where:
Base-Base interactions energy: -42.836
where: short stacking energy: -38.619
Base-Backbone interact. energy: -0.543
local terms energy: -79.917176
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -201.656219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.656219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.656219 (E_RNA)
where:
Base-Base interactions energy: -128.207
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.580
local terms energy: -72.868546
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -8.418
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: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -391.121076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.121076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.121076 (E_RNA)
where:
Base-Base interactions energy: -288.136
where: short stacking energy: -108.623
Base-Backbone interact. energy: -0.935
local terms energy: -102.049331
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -348.687480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.687480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.687480 (E_RNA)
where:
Base-Base interactions energy: -229.649
where: short stacking energy: -85.463
Base-Backbone interact. energy: -0.579
local terms energy: -118.460161
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -27.989
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -357.097244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.097244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.097244 (E_RNA)
where:
Base-Base interactions energy: -237.661
where: short stacking energy: -112.815
Base-Backbone interact. energy: -0.047
local terms energy: -119.389667
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -21.752
tors. eta vs tors. theta energy: -32.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -318.369145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.369145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.369145 (E_RNA)
where:
Base-Base interactions energy: -200.100
where: short stacking energy: -98.334
Base-Backbone interact. energy: -0.109
local terms energy: -118.160426
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -29.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -294.537332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.537332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.537332 (E_RNA)
where:
Base-Base interactions energy: -183.476
where: short stacking energy: -90.652
Base-Backbone interact. energy: 1.040
local terms energy: -112.101474
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -23.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -276.226004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.226004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.226004 (E_RNA)
where:
Base-Base interactions energy: -176.917
where: short stacking energy: -75.012
Base-Backbone interact. energy: 0.776
local terms energy: -100.085426
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -249.384049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.384049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.384049 (E_RNA)
where:
Base-Base interactions energy: -161.161
where: short stacking energy: -67.817
Base-Backbone interact. energy: -1.116
local terms energy: -87.106955
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -8.037
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -237.859094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.859094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.859094 (E_RNA)
where:
Base-Base interactions energy: -144.764
where: short stacking energy: -61.942
Base-Backbone interact. energy: -1.065
local terms energy: -92.030230
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -126.572835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.572835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.572835 (E_RNA)
where:
Base-Base interactions energy: -57.733
where: short stacking energy: -38.058
Base-Backbone interact. energy: 0.023
local terms energy: -68.862896
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -222.968950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.968950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.968950 (E_RNA)
where:
Base-Base interactions energy: -140.623
where: short stacking energy: -61.928
Base-Backbone interact. energy: 0.950
local terms energy: -83.296123
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -14.054
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: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -387.330154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.330154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.330154 (E_RNA)
where:
Base-Base interactions energy: -261.704
where: short stacking energy: -108.360
Base-Backbone interact. energy: -0.845
local terms energy: -124.782047
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -25.799
flat angles P-C4'-P energy: -23.022
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: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -353.569862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.569862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.569862 (E_RNA)
where:
Base-Base interactions energy: -239.274
where: short stacking energy: -96.495
Base-Backbone interact. energy: -0.364
local terms energy: -113.931890
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -27.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -350.003588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.003588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.003588 (E_RNA)
where:
Base-Base interactions energy: -230.951
where: short stacking energy: -112.293
Base-Backbone interact. energy: -0.265
local terms energy: -118.788151
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -16.976
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: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -283.663417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.663417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.663417 (E_RNA)
where:
Base-Base interactions energy: -171.741
where: short stacking energy: -94.429
Base-Backbone interact. energy: -0.628
local terms energy: -111.294313
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -23.618
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -27.079
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: 426
Temperature: 1.100000
Total energy: -288.758721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.758721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.758721 (E_RNA)
where:
Base-Base interactions energy: -184.498
where: short stacking energy: -85.690
Base-Backbone interact. energy: -0.236
local terms energy: -104.024831
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -19.608
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: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -291.501910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.501910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.501910 (E_RNA)
where:
Base-Base interactions energy: -182.385
where: short stacking energy: -72.348
Base-Backbone interact. energy: -0.180
local terms energy: -108.936963
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -255.651708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.651708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.651708 (E_RNA)
where:
Base-Base interactions energy: -157.176
where: short stacking energy: -58.113
Base-Backbone interact. energy: -0.416
local terms energy: -98.060399
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -241.738040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.738040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.738040 (E_RNA)
where:
Base-Base interactions energy: -163.588
where: short stacking energy: -80.818
Base-Backbone interact. energy: -0.297
local terms energy: -77.852890
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -223.023913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.023913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.023913 (E_RNA)
where:
Base-Base interactions energy: -130.072
where: short stacking energy: -49.370
Base-Backbone interact. energy: 0.158
local terms energy: -93.109642
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -119.115837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.115837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.115837 (E_RNA)
where:
Base-Base interactions energy: -40.990
where: short stacking energy: -39.299
Base-Backbone interact. energy: 2.203
local terms energy: -80.328571
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -384.124535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.124535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.124535 (E_RNA)
where:
Base-Base interactions energy: -259.727
where: short stacking energy: -104.884
Base-Backbone interact. energy: 0.010
local terms energy: -124.407753
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -23.183
tors. eta vs tors. theta energy: -25.971
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: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -365.115480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.115480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.115480 (E_RNA)
where:
Base-Base interactions energy: -232.878
where: short stacking energy: -121.288
Base-Backbone interact. energy: -0.059
local terms energy: -132.179076
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -36.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -350.804471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.804471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.804471 (E_RNA)
where:
Base-Base interactions energy: -236.142
where: short stacking energy: -96.870
Base-Backbone interact. energy: 2.511
local terms energy: -117.173148
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -29.432
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -27.861
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: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -314.016914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.016914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.016914 (E_RNA)
where:
Base-Base interactions energy: -206.857
where: short stacking energy: -93.516
Base-Backbone interact. energy: 3.227
local terms energy: -110.387018
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -23.537
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -27.164
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: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -257.052202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.052202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.052202 (E_RNA)
where:
Base-Base interactions energy: -156.181
where: short stacking energy: -70.350
Base-Backbone interact. energy: -0.254
local terms energy: -100.616704
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -17.936
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: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -259.884892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.884892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.884892 (E_RNA)
where:
Base-Base interactions energy: -170.273
where: short stacking energy: -76.728
Base-Backbone interact. energy: -1.301
local terms energy: -88.310825
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -272.708770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.708770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.708770 (E_RNA)
where:
Base-Base interactions energy: -176.306
where: short stacking energy: -69.645
Base-Backbone interact. energy: -0.155
local terms energy: -96.247369
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -230.804901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.804901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.804901 (E_RNA)
where:
Base-Base interactions energy: -153.145
where: short stacking energy: -80.026
Base-Backbone interact. energy: -0.082
local terms energy: -77.578227
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -228.896934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.896934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.896934 (E_RNA)
where:
Base-Base interactions energy: -135.809
where: short stacking energy: -66.523
Base-Backbone interact. energy: -0.436
local terms energy: -92.651835
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -20.216
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: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -106.565229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.565229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.565229 (E_RNA)
where:
Base-Base interactions energy: -29.980
where: short stacking energy: -20.790
Base-Backbone interact. energy: -0.619
local terms energy: -75.966024
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: 0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -355.548055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.548055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.548055 (E_RNA)
where:
Base-Base interactions energy: -223.613
where: short stacking energy: -111.453
Base-Backbone interact. energy: -0.044
local terms energy: -131.891366
where:
bonds (distance) C4'-P energy: -27.249
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -26.564
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -31.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -381.068982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.068982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.068982 (E_RNA)
where:
Base-Base interactions energy: -257.763
where: short stacking energy: -108.335
Base-Backbone interact. energy: -1.105
local terms energy: -122.200525
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -26.154
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -27.333
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: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -336.389221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.389221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.389221 (E_RNA)
where:
Base-Base interactions energy: -225.974
where: short stacking energy: -98.161
Base-Backbone interact. energy: -0.134
local terms energy: -110.281513
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -27.118
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -26.772
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: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -347.624187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.624187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.624187 (E_RNA)
where:
Base-Base interactions energy: -231.372
where: short stacking energy: -94.535
Base-Backbone interact. energy: -0.115
local terms energy: -116.137960
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -31.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -298.038088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.038088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.038088 (E_RNA)
where:
Base-Base interactions energy: -187.595
where: short stacking energy: -91.175
Base-Backbone interact. energy: -0.640
local terms energy: -109.803106
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -260.133786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.133786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.133786 (E_RNA)
where:
Base-Base interactions energy: -157.399
where: short stacking energy: -79.630
Base-Backbone interact. energy: -0.230
local terms energy: -102.504939
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -241.181880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.181880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.181880 (E_RNA)
where:
Base-Base interactions energy: -145.019
where: short stacking energy: -66.494
Base-Backbone interact. energy: -1.325
local terms energy: -94.837620
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -26.437
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -251.515277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.515277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.515277 (E_RNA)
where:
Base-Base interactions energy: -169.741
where: short stacking energy: -71.836
Base-Backbone interact. energy: -0.249
local terms energy: -81.525858
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -255.556791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.556791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.556791 (E_RNA)
where:
Base-Base interactions energy: -151.777
where: short stacking energy: -75.775
Base-Backbone interact. energy: -0.145
local terms energy: -103.635626
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -24.577
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -106.028758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.028758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.028758 (E_RNA)
where:
Base-Base interactions energy: -34.045
where: short stacking energy: -26.294
Base-Backbone interact. energy: -0.356
local terms energy: -71.627761
where:
bonds (distance) C4'-P energy: -25.961
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: 5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -358.607396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.607396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.607396 (E_RNA)
where:
Base-Base interactions energy: -231.591
where: short stacking energy: -121.230
Base-Backbone interact. energy: -0.902
local terms energy: -126.114320
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -32.536
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: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -376.656487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.656487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.656487 (E_RNA)
where:
Base-Base interactions energy: -255.416
where: short stacking energy: -95.181
Base-Backbone interact. energy: -0.594
local terms energy: -120.646799
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -337.945084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.945084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.945084 (E_RNA)
where:
Base-Base interactions energy: -218.979
where: short stacking energy: -102.376
Base-Backbone interact. energy: 0.030
local terms energy: -118.996063
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -320.649472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.649472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.649472 (E_RNA)
where:
Base-Base interactions energy: -191.333
where: short stacking energy: -103.029
Base-Backbone interact. energy: -0.154
local terms energy: -129.163115
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -30.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -336.610389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.610389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.610389 (E_RNA)
where:
Base-Base interactions energy: -221.731
where: short stacking energy: -95.227
Base-Backbone interact. energy: 0.468
local terms energy: -115.347381
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -30.377
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: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -264.796744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.796744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.796744 (E_RNA)
where:
Base-Base interactions energy: -165.155
where: short stacking energy: -67.747
Base-Backbone interact. energy: 1.376
local terms energy: -101.017749
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -26.266
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -235.128033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.128033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.128033 (E_RNA)
where:
Base-Base interactions energy: -139.676
where: short stacking energy: -56.676
Base-Backbone interact. energy: -0.508
local terms energy: -94.944195
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -13.697
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: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -256.680266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.680266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.680266 (E_RNA)
where:
Base-Base interactions energy: -173.268
where: short stacking energy: -74.405
Base-Backbone interact. energy: -0.805
local terms energy: -82.606477
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -26.328
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -9.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -238.182865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.182865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.182865 (E_RNA)
where:
Base-Base interactions energy: -150.758
where: short stacking energy: -57.622
Base-Backbone interact. energy: -0.287
local terms energy: -87.137244
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -118.341071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.341071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.341071 (E_RNA)
where:
Base-Base interactions energy: -45.047
where: short stacking energy: -41.247
Base-Backbone interact. energy: -1.290
local terms energy: -72.004251
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -25.023
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -3.353
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: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -385.298929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.298929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.298929 (E_RNA)
where:
Base-Base interactions energy: -278.644
where: short stacking energy: -105.029
Base-Backbone interact. energy: -0.092
local terms energy: -106.562708
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -26.228
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -21.205
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: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -357.166716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.166716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.166716 (E_RNA)
where:
Base-Base interactions energy: -221.821
where: short stacking energy: -109.006
Base-Backbone interact. energy: -0.069
local terms energy: -135.277275
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -27.238
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -20.338
tors. eta vs tors. theta energy: -35.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -332.884931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.884931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.884931 (E_RNA)
where:
Base-Base interactions energy: -214.555
where: short stacking energy: -106.489
Base-Backbone interact. energy: -0.857
local terms energy: -117.473130
where:
bonds (distance) C4'-P energy: -28.059
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -29.586
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: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -302.133655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.133655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.133655 (E_RNA)
where:
Base-Base interactions energy: -188.084
where: short stacking energy: -68.796
Base-Backbone interact. energy: -0.925
local terms energy: -113.124511
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -277.922626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.922626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.922626 (E_RNA)
where:
Base-Base interactions energy: -178.196
where: short stacking energy: -74.985
Base-Backbone interact. energy: -0.702
local terms energy: -99.024783
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -27.064
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -304.610618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.610618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.610618 (E_RNA)
where:
Base-Base interactions energy: -199.848
where: short stacking energy: -80.313
Base-Backbone interact. energy: 0.873
local terms energy: -105.635538
where:
bonds (distance) C4'-P energy: -26.946
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -10.380
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: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -273.709494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.709494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.709494 (E_RNA)
where:
Base-Base interactions energy: -179.170
where: short stacking energy: -72.899
Base-Backbone interact. energy: -0.299
local terms energy: -94.240532
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -15.920
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: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -209.042262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.042262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.042262 (E_RNA)
where:
Base-Base interactions energy: -112.631
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.189
local terms energy: -96.222021
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -11.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -240.601747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.601747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.601747 (E_RNA)
where:
Base-Base interactions energy: -140.563
where: short stacking energy: -61.064
Base-Backbone interact. energy: -0.492
local terms energy: -99.546470
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -136.015388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.015388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.015388 (E_RNA)
where:
Base-Base interactions energy: -56.742
where: short stacking energy: -41.376
Base-Backbone interact. energy: -0.394
local terms energy: -78.878553
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -384.649777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.649777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.649777 (E_RNA)
where:
Base-Base interactions energy: -270.324
where: short stacking energy: -102.599
Base-Backbone interact. energy: -1.131
local terms energy: -113.195014
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -23.335
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: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -355.137167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.137167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.137167 (E_RNA)
where:
Base-Base interactions energy: -233.493
where: short stacking energy: -116.673
Base-Backbone interact. energy: -0.019
local terms energy: -121.624539
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -38.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -314.930664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.930664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.930664 (E_RNA)
where:
Base-Base interactions energy: -196.806
where: short stacking energy: -76.427
Base-Backbone interact. energy: -1.502
local terms energy: -116.622650
where:
bonds (distance) C4'-P energy: -26.582
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -28.550
flat angles P-C4'-P energy: -16.502
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: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -287.439334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.439334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.439334 (E_RNA)
where:
Base-Base interactions energy: -181.252
where: short stacking energy: -88.454
Base-Backbone interact. energy: -0.596
local terms energy: -105.591571
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -25.342
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -272.355414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.355414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.355414 (E_RNA)
where:
Base-Base interactions energy: -182.128
where: short stacking energy: -73.701
Base-Backbone interact. energy: -0.615
local terms energy: -89.612802
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -291.082082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.082082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.082082 (E_RNA)
where:
Base-Base interactions energy: -197.796
where: short stacking energy: -91.607
Base-Backbone interact. energy: 0.380
local terms energy: -93.666435
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -288.385359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.385359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.385359 (E_RNA)
where:
Base-Base interactions energy: -178.539
where: short stacking energy: -82.567
Base-Backbone interact. energy: -0.360
local terms energy: -109.486333
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -26.922
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -24.612
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: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -225.175244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.175244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.175244 (E_RNA)
where:
Base-Base interactions energy: -149.831
where: short stacking energy: -65.875
Base-Backbone interact. energy: 0.277
local terms energy: -75.621808
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -219.098886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.098886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.098886 (E_RNA)
where:
Base-Base interactions energy: -141.573
where: short stacking energy: -67.585
Base-Backbone interact. energy: 0.524
local terms energy: -78.049499
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -26.956
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -11.805
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: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -113.220054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.220054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.220054 (E_RNA)
where:
Base-Base interactions energy: -45.331
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.601
local terms energy: -67.287724
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: 1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -392.011332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.011332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.011332 (E_RNA)
where:
Base-Base interactions energy: -265.758
where: short stacking energy: -113.844
Base-Backbone interact. energy: -0.291
local terms energy: -125.962180
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -30.409
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: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -350.204903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.204903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.204903 (E_RNA)
where:
Base-Base interactions energy: -229.511
where: short stacking energy: -106.121
Base-Backbone interact. energy: -0.221
local terms energy: -120.472727
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -32.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -327.624176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.624176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.624176 (E_RNA)
where:
Base-Base interactions energy: -207.571
where: short stacking energy: -98.035
Base-Backbone interact. energy: 0.272
local terms energy: -120.325227
where:
bonds (distance) C4'-P energy: -25.631
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -26.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -289.321139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.321139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.321139 (E_RNA)
where:
Base-Base interactions energy: -174.272
where: short stacking energy: -87.890
Base-Backbone interact. energy: -0.020
local terms energy: -115.029596
where:
bonds (distance) C4'-P energy: -28.332
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -24.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -308.412612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.412612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.412612 (E_RNA)
where:
Base-Base interactions energy: -199.499
where: short stacking energy: -98.904
Base-Backbone interact. energy: -0.633
local terms energy: -108.280534
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -27.469
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -24.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -273.243695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.243695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.243695 (E_RNA)
where:
Base-Base interactions energy: -166.360
where: short stacking energy: -83.227
Base-Backbone interact. energy: -0.089
local terms energy: -106.794454
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -26.927
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -20.562
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: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -243.032955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.032955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.032955 (E_RNA)
where:
Base-Base interactions energy: -148.380
where: short stacking energy: -75.741
Base-Backbone interact. energy: -0.466
local terms energy: -94.186658
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -28.960
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -234.649227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.649227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.649227 (E_RNA)
where:
Base-Base interactions energy: -150.315
where: short stacking energy: -61.192
Base-Backbone interact. energy: -0.298
local terms energy: -84.036008
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -206.069216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.069216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.069216 (E_RNA)
where:
Base-Base interactions energy: -121.779
where: short stacking energy: -61.807
Base-Backbone interact. energy: -0.618
local terms energy: -83.672337
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -107.942997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.942997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.942997 (E_RNA)
where:
Base-Base interactions energy: -33.894
where: short stacking energy: -22.977
Base-Backbone interact. energy: -0.303
local terms energy: -73.746369
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -13.832
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: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -398.383984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.383984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.383984 (E_RNA)
where:
Base-Base interactions energy: -274.942
where: short stacking energy: -111.448
Base-Backbone interact. energy: -0.386
local terms energy: -123.055222
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -25.948
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -29.881
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: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -366.680936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.680936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.680936 (E_RNA)
where:
Base-Base interactions energy: -229.501
where: short stacking energy: -105.134
Base-Backbone interact. energy: -0.586
local terms energy: -136.593771
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -28.879
flat angles C4'-P-C4' energy: -29.263
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -32.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -330.166057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.166057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.166057 (E_RNA)
where:
Base-Base interactions energy: -212.297
where: short stacking energy: -99.959
Base-Backbone interact. energy: -0.519
local terms energy: -117.350305
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -27.311
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: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -295.928249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.928249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.928249 (E_RNA)
where:
Base-Base interactions energy: -195.037
where: short stacking energy: -87.765
Base-Backbone interact. energy: -0.597
local terms energy: -100.294074
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -21.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -269.150324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.150324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.150324 (E_RNA)
where:
Base-Base interactions energy: -173.680
where: short stacking energy: -80.650
Base-Backbone interact. energy: -0.172
local terms energy: -95.298301
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -268.030512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.030512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.030512 (E_RNA)
where:
Base-Base interactions energy: -168.571
where: short stacking energy: -79.224
Base-Backbone interact. energy: -0.099
local terms energy: -99.360184
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -238.310456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.310456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.310456 (E_RNA)
where:
Base-Base interactions energy: -150.680
where: short stacking energy: -65.885
Base-Backbone interact. energy: -1.067
local terms energy: -86.563671
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -223.451967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.451967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.451967 (E_RNA)
where:
Base-Base interactions energy: -145.387
where: short stacking energy: -63.084
Base-Backbone interact. energy: 0.539
local terms energy: -78.603919
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -8.051
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: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -201.613998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.613998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.613998 (E_RNA)
where:
Base-Base interactions energy: -105.777
where: short stacking energy: -48.633
Base-Backbone interact. energy: -0.802
local terms energy: -95.034559
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -117.205866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.205866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.205866 (E_RNA)
where:
Base-Base interactions energy: -43.852
where: short stacking energy: -42.063
Base-Backbone interact. energy: 5.325
local terms energy: -78.679515
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: 2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -391.531264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.531264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.531264 (E_RNA)
where:
Base-Base interactions energy: -271.444
where: short stacking energy: -113.732
Base-Backbone interact. energy: -0.235
local terms energy: -119.851820
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -355.685274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.685274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.685274 (E_RNA)
where:
Base-Base interactions energy: -228.471
where: short stacking energy: -109.409
Base-Backbone interact. energy: -0.195
local terms energy: -127.019139
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -18.432
tors. eta vs tors. theta energy: -32.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -324.560696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.560696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.560696 (E_RNA)
where:
Base-Base interactions energy: -211.591
where: short stacking energy: -93.436
Base-Backbone interact. energy: -0.493
local terms energy: -112.477028
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -25.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -281.224073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.224073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.224073 (E_RNA)
where:
Base-Base interactions energy: -178.126
where: short stacking energy: -76.891
Base-Backbone interact. energy: -0.512
local terms energy: -102.585969
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -12.529
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: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -279.225277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.225277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.225277 (E_RNA)
where:
Base-Base interactions energy: -179.444
where: short stacking energy: -75.889
Base-Backbone interact. energy: 0.241
local terms energy: -100.022097
where:
bonds (distance) C4'-P energy: -25.598
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -260.237453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.237453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.237453 (E_RNA)
where:
Base-Base interactions energy: -166.742
where: short stacking energy: -83.406
Base-Backbone interact. energy: -0.311
local terms energy: -93.184171
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -275.164047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.164047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.164047 (E_RNA)
where:
Base-Base interactions energy: -177.915
where: short stacking energy: -79.394
Base-Backbone interact. energy: -0.160
local terms energy: -97.088982
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -235.093027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.093027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.093027 (E_RNA)
where:
Base-Base interactions energy: -137.632
where: short stacking energy: -74.755
Base-Backbone interact. energy: -0.863
local terms energy: -96.597931
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -26.553
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -116.558474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.558474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.558474 (E_RNA)
where:
Base-Base interactions energy: -35.356
where: short stacking energy: -35.356
Base-Backbone interact. energy: -0.174
local terms energy: -81.028353
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -115.063211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.063211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.063211 (E_RNA)
where:
Base-Base interactions energy: -43.636
where: short stacking energy: -30.656
Base-Backbone interact. energy: 0.804
local terms energy: -72.231948
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: 1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -392.889236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.889236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.889236 (E_RNA)
where:
Base-Base interactions energy: -273.651
where: short stacking energy: -104.716
Base-Backbone interact. energy: -0.296
local terms energy: -118.942923
where:
bonds (distance) C4'-P energy: -24.841
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -26.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -356.640152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.640152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.640152 (E_RNA)
where:
Base-Base interactions energy: -233.320
where: short stacking energy: -123.329
Base-Backbone interact. energy: -0.087
local terms energy: -123.232692
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -29.216
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -37.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -319.784391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.784391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.784391 (E_RNA)
where:
Base-Base interactions energy: -206.131
where: short stacking energy: -95.975
Base-Backbone interact. energy: -0.454
local terms energy: -113.200104
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -25.549
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -22.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -298.857927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.857927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.857927 (E_RNA)
where:
Base-Base interactions energy: -188.408
where: short stacking energy: -91.279
Base-Backbone interact. energy: -0.045
local terms energy: -110.405395
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -26.060
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: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -302.085682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.085682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.085682 (E_RNA)
where:
Base-Base interactions energy: -191.653
where: short stacking energy: -91.388
Base-Backbone interact. energy: 0.729
local terms energy: -111.161501
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -21.627
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: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -282.648644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.648644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.648644 (E_RNA)
where:
Base-Base interactions energy: -184.740
where: short stacking energy: -81.848
Base-Backbone interact. energy: -0.387
local terms energy: -97.521471
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -24.337
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -17.723
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: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -243.716632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.716632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.716632 (E_RNA)
where:
Base-Base interactions energy: -157.443
where: short stacking energy: -77.642
Base-Backbone interact. energy: 0.908
local terms energy: -87.182416
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -12.082
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: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -239.885368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.885368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.885368 (E_RNA)
where:
Base-Base interactions energy: -137.749
where: short stacking energy: -69.340
Base-Backbone interact. energy: 0.045
local terms energy: -102.181903
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -22.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -116.222758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.222758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.222758 (E_RNA)
where:
Base-Base interactions energy: -29.660
where: short stacking energy: -26.724
Base-Backbone interact. energy: -0.587
local terms energy: -85.975230
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -111.915311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.915311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.915311 (E_RNA)
where:
Base-Base interactions energy: -34.252
where: short stacking energy: -24.795
Base-Backbone interact. energy: 0.461
local terms energy: -78.124370
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -408.707166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.707166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.707166 (E_RNA)
where:
Base-Base interactions energy: -289.085
where: short stacking energy: -114.657
Base-Backbone interact. energy: -0.527
local terms energy: -119.094764
where:
bonds (distance) C4'-P energy: -25.609
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -29.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -356.265217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.265217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.265217 (E_RNA)
where:
Base-Base interactions energy: -232.104
where: short stacking energy: -118.475
Base-Backbone interact. energy: -0.015
local terms energy: -124.145639
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -24.552
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: -34.494
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: 436
Temperature: 1.000000
Total energy: -315.593636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.593636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.593636 (E_RNA)
where:
Base-Base interactions energy: -196.248
where: short stacking energy: -100.499
Base-Backbone interact. energy: -0.567
local terms energy: -118.778601
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -27.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -290.235609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.235609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.235609 (E_RNA)
where:
Base-Base interactions energy: -193.052
where: short stacking energy: -88.214
Base-Backbone interact. energy: -0.951
local terms energy: -96.232729
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -12.548
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: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -299.415574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.415574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.415574 (E_RNA)
where:
Base-Base interactions energy: -197.081
where: short stacking energy: -94.467
Base-Backbone interact. energy: -0.242
local terms energy: -102.092282
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -20.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -248.556221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.556221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.556221 (E_RNA)
where:
Base-Base interactions energy: -158.634
where: short stacking energy: -55.116
Base-Backbone interact. energy: -0.577
local terms energy: -89.344904
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -237.023627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.023627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.023627 (E_RNA)
where:
Base-Base interactions energy: -159.210
where: short stacking energy: -74.956
Base-Backbone interact. energy: 3.674
local terms energy: -81.487558
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -233.012313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.012313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.012313 (E_RNA)
where:
Base-Base interactions energy: -142.626
where: short stacking energy: -60.874
Base-Backbone interact. energy: -0.116
local terms energy: -90.270337
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -9.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -121.849148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.849148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.849148 (E_RNA)
where:
Base-Base interactions energy: -39.277
where: short stacking energy: -40.677
Base-Backbone interact. energy: -0.193
local terms energy: -82.378989
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -28.887
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -118.153973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.153973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.153973 (E_RNA)
where:
Base-Base interactions energy: -55.284
where: short stacking energy: -44.433
Base-Backbone interact. energy: -1.688
local terms energy: -61.181396
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: 1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -397.304014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.304014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.304014 (E_RNA)
where:
Base-Base interactions energy: -280.724
where: short stacking energy: -120.184
Base-Backbone interact. energy: 0.365
local terms energy: -116.944853
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -34.254
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: 437
Temperature: 0.950000
Total energy: -360.912142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.912142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.912142 (E_RNA)
where:
Base-Base interactions energy: -228.895
where: short stacking energy: -114.641
Base-Backbone interact. energy: -0.066
local terms energy: -131.951109
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -27.212
flat angles C4'-P-C4' energy: -27.545
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: -36.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -323.362371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.362371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.362371 (E_RNA)
where:
Base-Base interactions energy: -218.105
where: short stacking energy: -95.884
Base-Backbone interact. energy: -0.149
local terms energy: -105.108291
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -29.730
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: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -297.948492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.948492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.948492 (E_RNA)
where:
Base-Base interactions energy: -201.992
where: short stacking energy: -76.919
Base-Backbone interact. energy: 2.358
local terms energy: -98.314272
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -25.055
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -308.659040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.659040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.659040 (E_RNA)
where:
Base-Base interactions energy: -204.419
where: short stacking energy: -91.351
Base-Backbone interact. energy: -0.236
local terms energy: -104.004071
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -23.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -256.477549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.477549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.477549 (E_RNA)
where:
Base-Base interactions energy: -166.380
where: short stacking energy: -79.645
Base-Backbone interact. energy: -0.345
local terms energy: -89.752729
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -18.566
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: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -247.323970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.323970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.323970 (E_RNA)
where:
Base-Base interactions energy: -152.884
where: short stacking energy: -67.833
Base-Backbone interact. energy: -0.266
local terms energy: -94.174699
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -26.338
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -236.845036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.845036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.845036 (E_RNA)
where:
Base-Base interactions energy: -139.680
where: short stacking energy: -65.051
Base-Backbone interact. energy: 0.304
local terms energy: -97.469111
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -14.853
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: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -138.607624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.607624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.607624 (E_RNA)
where:
Base-Base interactions energy: -56.696
where: short stacking energy: -55.818
Base-Backbone interact. energy: -0.071
local terms energy: -81.840778
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -7.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -100.902363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.902363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.902363 (E_RNA)
where:
Base-Base interactions energy: -39.570
where: short stacking energy: -34.122
Base-Backbone interact. energy: 1.779
local terms energy: -63.111387
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: 4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -358.610098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.610098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.610098 (E_RNA)
where:
Base-Base interactions energy: -230.503
where: short stacking energy: -102.021
Base-Backbone interact. energy: -0.915
local terms energy: -127.192333
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -28.240
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -28.763
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: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -392.532948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.532948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.532948 (E_RNA)
where:
Base-Base interactions energy: -277.821
where: short stacking energy: -110.857
Base-Backbone interact. energy: -0.056
local terms energy: -114.655734
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -28.605
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: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -303.422197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.422197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.422197 (E_RNA)
where:
Base-Base interactions energy: -195.044
where: short stacking energy: -86.267
Base-Backbone interact. energy: -0.450
local terms energy: -107.928655
where:
bonds (distance) C4'-P energy: -26.288
bonds (distance) P-C4' energy: -25.464
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -301.600239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.600239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.600239 (E_RNA)
where:
Base-Base interactions energy: -195.630
where: short stacking energy: -90.452
Base-Backbone interact. energy: -0.301
local terms energy: -105.669331
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -315.723339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.723339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.723339 (E_RNA)
where:
Base-Base interactions energy: -201.445
where: short stacking energy: -101.374
Base-Backbone interact. energy: -0.333
local terms energy: -113.945945
where:
bonds (distance) C4'-P energy: -25.137
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -26.676
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: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -280.224516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.224516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.224516 (E_RNA)
where:
Base-Base interactions energy: -176.867
where: short stacking energy: -95.103
Base-Backbone interact. energy: -0.032
local terms energy: -103.325823
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -25.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -255.579565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.579565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.579565 (E_RNA)
where:
Base-Base interactions energy: -161.628
where: short stacking energy: -78.122
Base-Backbone interact. energy: -0.372
local terms energy: -93.580075
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -19.222
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: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -254.288809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.288809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.288809 (E_RNA)
where:
Base-Base interactions energy: -169.431
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.291
local terms energy: -84.566776
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -115.436290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.436290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.436290 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -26.803
Base-Backbone interact. energy: -0.678
local terms energy: -76.159901
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -15.475
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: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -114.887656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.887656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.887656 (E_RNA)
where:
Base-Base interactions energy: -36.233
where: short stacking energy: -34.352
Base-Backbone interact. energy: 1.453
local terms energy: -80.107758
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -368.848876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.848876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.848876 (E_RNA)
where:
Base-Base interactions energy: -239.340
where: short stacking energy: -113.294
Base-Backbone interact. energy: -0.666
local terms energy: -128.842430
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -26.093
flat angles C4'-P-C4' energy: -26.998
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -35.198
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: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -387.104872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.104872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.104872 (E_RNA)
where:
Base-Base interactions energy: -270.044
where: short stacking energy: -106.758
Base-Backbone interact. energy: -1.472
local terms energy: -115.589640
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -15.672
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: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -305.159337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.159337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.159337 (E_RNA)
where:
Base-Base interactions energy: -193.803
where: short stacking energy: -80.815
Base-Backbone interact. energy: -0.299
local terms energy: -111.056708
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -24.239
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -21.097
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: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -298.250904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.250904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.250904 (E_RNA)
where:
Base-Base interactions energy: -185.647
where: short stacking energy: -90.963
Base-Backbone interact. energy: -0.014
local terms energy: -112.589666
where:
bonds (distance) C4'-P energy: -27.870
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -284.856844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.856844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.856844 (E_RNA)
where:
Base-Base interactions energy: -190.054
where: short stacking energy: -84.790
Base-Backbone interact. energy: 1.423
local terms energy: -96.225655
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -268.454038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.454038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.454038 (E_RNA)
where:
Base-Base interactions energy: -178.968
where: short stacking energy: -90.360
Base-Backbone interact. energy: -0.638
local terms energy: -88.847967
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -239.416871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.416871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.416871 (E_RNA)
where:
Base-Base interactions energy: -141.318
where: short stacking energy: -66.139
Base-Backbone interact. energy: 2.427
local terms energy: -100.526384
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -13.018
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: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -257.554197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.554197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.554197 (E_RNA)
where:
Base-Base interactions energy: -169.698
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.453
local terms energy: -87.403070
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -12.630
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: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -117.171033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.171033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.171033 (E_RNA)
where:
Base-Base interactions energy: -36.030
where: short stacking energy: -31.679
Base-Backbone interact. energy: -1.668
local terms energy: -79.472913
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: 0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -100.570442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.570442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.570442 (E_RNA)
where:
Base-Base interactions energy: -38.657
where: short stacking energy: -32.163
Base-Backbone interact. energy: 2.077
local terms energy: -63.990172
where:
bonds (distance) C4'-P energy: -7.505
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -399.521235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.521235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.521235 (E_RNA)
where:
Base-Base interactions energy: -281.086
where: short stacking energy: -111.120
Base-Backbone interact. energy: -0.039
local terms energy: -118.396392
where:
bonds (distance) C4'-P energy: -25.683
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -29.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -359.096407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.096407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.096407 (E_RNA)
where:
Base-Base interactions energy: -234.870
where: short stacking energy: -115.564
Base-Backbone interact. energy: -0.628
local terms energy: -123.598341
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -34.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -301.978647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.978647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.978647 (E_RNA)
where:
Base-Base interactions energy: -181.799
where: short stacking energy: -95.508
Base-Backbone interact. energy: -0.463
local terms energy: -119.715941
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -316.268871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.268871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.268871 (E_RNA)
where:
Base-Base interactions energy: -198.080
where: short stacking energy: -93.283
Base-Backbone interact. energy: -0.602
local terms energy: -117.587438
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -258.986920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.986920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.986920 (E_RNA)
where:
Base-Base interactions energy: -162.368
where: short stacking energy: -64.225
Base-Backbone interact. energy: -0.175
local terms energy: -96.443524
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -285.681517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.681517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.681517 (E_RNA)
where:
Base-Base interactions energy: -173.648
where: short stacking energy: -65.360
Base-Backbone interact. energy: -0.708
local terms energy: -111.325486
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -258.780673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.780673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.780673 (E_RNA)
where:
Base-Base interactions energy: -162.864
where: short stacking energy: -66.310
Base-Backbone interact. energy: -0.215
local terms energy: -95.701729
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -11.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -221.392430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.392430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.392430 (E_RNA)
where:
Base-Base interactions energy: -127.751
where: short stacking energy: -64.904
Base-Backbone interact. energy: -0.092
local terms energy: -93.549730
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -155.369666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.369666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.369666 (E_RNA)
where:
Base-Base interactions energy: -77.329
where: short stacking energy: -46.150
Base-Backbone interact. energy: -0.221
local terms energy: -77.819955
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -112.169534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.169534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.169534 (E_RNA)
where:
Base-Base interactions energy: -42.209
where: short stacking energy: -37.947
Base-Backbone interact. energy: -0.288
local terms energy: -69.672824
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -8.599
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -3.684
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: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -394.803381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.803381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.803381 (E_RNA)
where:
Base-Base interactions energy: -279.081
where: short stacking energy: -99.002
Base-Backbone interact. energy: -0.134
local terms energy: -115.588784
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -26.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -363.192390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.192390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.192390 (E_RNA)
where:
Base-Base interactions energy: -236.724
where: short stacking energy: -106.738
Base-Backbone interact. energy: -0.009
local terms energy: -126.459335
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -27.446
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -36.317
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: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -319.701330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.701330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.701330 (E_RNA)
where:
Base-Base interactions energy: -204.414
where: short stacking energy: -93.495
Base-Backbone interact. energy: -0.110
local terms energy: -115.177828
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -22.340
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: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -300.773894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.773894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.773894 (E_RNA)
where:
Base-Base interactions energy: -202.686
where: short stacking energy: -94.474
Base-Backbone interact. energy: -0.224
local terms energy: -97.863964
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -18.119
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: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -265.208096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.208096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.208096 (E_RNA)
where:
Base-Base interactions energy: -158.905
where: short stacking energy: -76.022
Base-Backbone interact. energy: -0.025
local terms energy: -106.278886
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -274.835086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.835086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.835086 (E_RNA)
where:
Base-Base interactions energy: -173.457
where: short stacking energy: -74.357
Base-Backbone interact. energy: -0.877
local terms energy: -100.501514
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -27.881
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -271.591980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.591980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.591980 (E_RNA)
where:
Base-Base interactions energy: -174.127
where: short stacking energy: -80.968
Base-Backbone interact. energy: -0.112
local terms energy: -97.352469
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -226.823146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.823146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.823146 (E_RNA)
where:
Base-Base interactions energy: -140.640
where: short stacking energy: -62.297
Base-Backbone interact. energy: -1.227
local terms energy: -84.955508
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -158.076212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.076212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.076212 (E_RNA)
where:
Base-Base interactions energy: -73.215
where: short stacking energy: -50.665
Base-Backbone interact. energy: -0.578
local terms energy: -84.282903
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -10.658
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: 441
Temperature: 1.350000
Total energy: -136.735774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.735774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.735774 (E_RNA)
where:
Base-Base interactions energy: -43.979
where: short stacking energy: -28.991
Base-Backbone interact. energy: -0.554
local terms energy: -92.202780
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: 2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -369.768302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.768302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.768302 (E_RNA)
where:
Base-Base interactions energy: -235.091
where: short stacking energy: -107.518
Base-Backbone interact. energy: -0.568
local terms energy: -134.109238
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -29.785
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -36.280
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: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -394.062887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.062887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.062887 (E_RNA)
where:
Base-Base interactions energy: -281.299
where: short stacking energy: -102.993
Base-Backbone interact. energy: -0.259
local terms energy: -112.505790
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -23.732
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -29.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -308.100297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.100297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.100297 (E_RNA)
where:
Base-Base interactions energy: -199.060
where: short stacking energy: -96.807
Base-Backbone interact. energy: -0.079
local terms energy: -108.961180
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -29.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -299.576466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.576466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.576466 (E_RNA)
where:
Base-Base interactions energy: -191.342
where: short stacking energy: -77.285
Base-Backbone interact. energy: -0.183
local terms energy: -108.051669
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -26.109
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -285.110252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.110252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.110252 (E_RNA)
where:
Base-Base interactions energy: -187.058
where: short stacking energy: -83.606
Base-Backbone interact. energy: -0.997
local terms energy: -97.055287
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -12.262
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: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -269.546090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.546090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.546090 (E_RNA)
where:
Base-Base interactions energy: -168.436
where: short stacking energy: -74.823
Base-Backbone interact. energy: -0.801
local terms energy: -100.308613
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -260.638856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.638856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.638856 (E_RNA)
where:
Base-Base interactions energy: -147.938
where: short stacking energy: -67.687
Base-Backbone interact. energy: 0.603
local terms energy: -113.303909
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -253.197968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.197968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.197968 (E_RNA)
where:
Base-Base interactions energy: -163.145
where: short stacking energy: -83.867
Base-Backbone interact. energy: 2.545
local terms energy: -92.598092
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -118.901891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.901891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.901891 (E_RNA)
where:
Base-Base interactions energy: -33.929
where: short stacking energy: -31.314
Base-Backbone interact. energy: -0.193
local terms energy: -84.779919
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -109.289655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.289655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.289655 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -27.192
Base-Backbone interact. energy: -0.196
local terms energy: -74.535476
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -25.503
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: 1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -365.262057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.262057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.262057 (E_RNA)
where:
Base-Base interactions energy: -249.238
where: short stacking energy: -111.535
Base-Backbone interact. energy: -0.197
local terms energy: -115.827665
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -32.618
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: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -378.025148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.025148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.025148 (E_RNA)
where:
Base-Base interactions energy: -259.401
where: short stacking energy: -99.278
Base-Backbone interact. energy: 1.283
local terms energy: -119.907600
where:
bonds (distance) C4'-P energy: -27.780
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -19.356
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: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -326.158219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.158219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.158219 (E_RNA)
where:
Base-Base interactions energy: -205.588
where: short stacking energy: -102.747
Base-Backbone interact. energy: -0.035
local terms energy: -120.535674
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -31.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -302.497832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.497832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.497832 (E_RNA)
where:
Base-Base interactions energy: -198.173
where: short stacking energy: -82.663
Base-Backbone interact. energy: -0.046
local terms energy: -104.279348
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -21.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -300.888897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.888897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.888897 (E_RNA)
where:
Base-Base interactions energy: -206.846
where: short stacking energy: -83.222
Base-Backbone interact. energy: -0.219
local terms energy: -93.824156
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -260.374716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.374716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.374716 (E_RNA)
where:
Base-Base interactions energy: -169.976
where: short stacking energy: -79.632
Base-Backbone interact. energy: -0.104
local terms energy: -90.294960
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -258.536771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.536771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.536771 (E_RNA)
where:
Base-Base interactions energy: -166.956
where: short stacking energy: -79.685
Base-Backbone interact. energy: -0.400
local terms energy: -91.180597
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -255.890352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.890352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.890352 (E_RNA)
where:
Base-Base interactions energy: -163.529
where: short stacking energy: -70.263
Base-Backbone interact. energy: -0.225
local terms energy: -92.136729
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -114.018626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.018626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.018626 (E_RNA)
where:
Base-Base interactions energy: -36.344
where: short stacking energy: -25.681
Base-Backbone interact. energy: -0.317
local terms energy: -77.358386
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: 0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -116.632001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.632001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.632001 (E_RNA)
where:
Base-Base interactions energy: -42.862
where: short stacking energy: -35.586
Base-Backbone interact. energy: 1.563
local terms energy: -75.332549
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -28.064
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -383.389458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.389458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.389458 (E_RNA)
where:
Base-Base interactions energy: -264.391
where: short stacking energy: -105.300
Base-Backbone interact. energy: -0.311
local terms energy: -118.687893
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -29.588
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: 444
Temperature: 0.950000
Total energy: -358.317675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.317675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.317675 (E_RNA)
where:
Base-Base interactions energy: -231.026
where: short stacking energy: -110.205
Base-Backbone interact. energy: 0.345
local terms energy: -127.637177
where:
bonds (distance) C4'-P energy: -23.350
bonds (distance) P-C4' energy: -24.484
flat angles C4'-P-C4' energy: -29.028
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -32.291
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: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -314.751177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.751177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.751177 (E_RNA)
where:
Base-Base interactions energy: -190.841
where: short stacking energy: -95.149
Base-Backbone interact. energy: -0.434
local terms energy: -123.476268
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -29.746
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: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -286.313228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.313228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.313228 (E_RNA)
where:
Base-Base interactions energy: -175.063
where: short stacking energy: -82.791
Base-Backbone interact. energy: -0.423
local terms energy: -110.827659
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -24.664
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -294.705944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.705944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.705944 (E_RNA)
where:
Base-Base interactions energy: -186.304
where: short stacking energy: -91.812
Base-Backbone interact. energy: -0.088
local terms energy: -108.313708
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -25.333
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -23.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -272.252726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.252726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.252726 (E_RNA)
where:
Base-Base interactions energy: -163.939
where: short stacking energy: -83.665
Base-Backbone interact. energy: -0.166
local terms energy: -108.147245
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -24.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -249.459374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.459374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.459374 (E_RNA)
where:
Base-Base interactions energy: -154.502
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.670
local terms energy: -94.288023
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -226.420591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.420591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.420591 (E_RNA)
where:
Base-Base interactions energy: -140.146
where: short stacking energy: -52.397
Base-Backbone interact. energy: -0.038
local terms energy: -86.236556
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -118.537135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.537135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.537135 (E_RNA)
where:
Base-Base interactions energy: -45.994
where: short stacking energy: -39.027
Base-Backbone interact. energy: -0.252
local terms energy: -72.291698
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -106.619978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.619978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.619978 (E_RNA)
where:
Base-Base interactions energy: -38.132
where: short stacking energy: -34.190
Base-Backbone interact. energy: 0.480
local terms energy: -68.967764
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -405.805576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.805576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.805576 (E_RNA)
where:
Base-Base interactions energy: -276.617
where: short stacking energy: -108.181
Base-Backbone interact. energy: -0.080
local terms energy: -129.109085
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -32.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -354.274119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.274119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.274119 (E_RNA)
where:
Base-Base interactions energy: -223.961
where: short stacking energy: -96.694
Base-Backbone interact. energy: -0.206
local terms energy: -130.107752
where:
bonds (distance) C4'-P energy: -26.317
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -29.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -308.994862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.994862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.994862 (E_RNA)
where:
Base-Base interactions energy: -191.403
where: short stacking energy: -97.027
Base-Backbone interact. energy: 0.379
local terms energy: -117.970747
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -17.512
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: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -299.355660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.355660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.355660 (E_RNA)
where:
Base-Base interactions energy: -180.645
where: short stacking energy: -81.053
Base-Backbone interact. energy: -1.353
local terms energy: -117.358195
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -273.130682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.130682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.130682 (E_RNA)
where:
Base-Base interactions energy: -169.360
where: short stacking energy: -85.310
Base-Backbone interact. energy: -0.880
local terms energy: -102.890684
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -26.289
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -261.140693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.140693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.140693 (E_RNA)
where:
Base-Base interactions energy: -163.324
where: short stacking energy: -78.485
Base-Backbone interact. energy: -0.257
local terms energy: -97.559647
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -270.425583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.425583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.425583 (E_RNA)
where:
Base-Base interactions energy: -166.963
where: short stacking energy: -75.466
Base-Backbone interact. energy: -0.221
local terms energy: -103.242236
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -123.192136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.192136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.192136 (E_RNA)
where:
Base-Base interactions energy: -52.557
where: short stacking energy: -48.846
Base-Backbone interact. energy: 0.347
local terms energy: -70.982286
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -229.504979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.504979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.504979 (E_RNA)
where:
Base-Base interactions energy: -144.433
where: short stacking energy: -70.482
Base-Backbone interact. energy: -0.822
local terms energy: -84.250016
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -14.256
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: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -119.901195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.901195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.901195 (E_RNA)
where:
Base-Base interactions energy: -40.282
where: short stacking energy: -36.669
Base-Backbone interact. energy: -0.513
local terms energy: -79.106297
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -2.148
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: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -399.329620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.329620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.329620 (E_RNA)
where:
Base-Base interactions energy: -281.485
where: short stacking energy: -115.974
Base-Backbone interact. energy: 0.560
local terms energy: -118.404357
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -29.138
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -29.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -358.149023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.149023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.149023 (E_RNA)
where:
Base-Base interactions energy: -228.883
where: short stacking energy: -110.974
Base-Backbone interact. energy: -0.124
local terms energy: -129.141747
where:
bonds (distance) C4'-P energy: -26.207
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -28.508
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -33.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -307.084893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.084893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.084893 (E_RNA)
where:
Base-Base interactions energy: -187.681
where: short stacking energy: -92.541
Base-Backbone interact. energy: -0.145
local terms energy: -119.259630
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -27.416
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -29.868
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: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -300.487393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.487393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.487393 (E_RNA)
where:
Base-Base interactions energy: -196.522
where: short stacking energy: -92.620
Base-Backbone interact. energy: -0.183
local terms energy: -103.783136
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -24.845
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: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -288.787227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.787227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.787227 (E_RNA)
where:
Base-Base interactions energy: -181.002
where: short stacking energy: -80.102
Base-Backbone interact. energy: -0.376
local terms energy: -107.409001
where:
bonds (distance) C4'-P energy: -23.064
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -284.018505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.018505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.018505 (E_RNA)
where:
Base-Base interactions energy: -177.234
where: short stacking energy: -76.901
Base-Backbone interact. energy: -0.158
local terms energy: -106.626092
where:
bonds (distance) C4'-P energy: -25.515
bonds (distance) P-C4' energy: -26.313
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -266.759609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.759609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.759609 (E_RNA)
where:
Base-Base interactions energy: -162.975
where: short stacking energy: -83.288
Base-Backbone interact. energy: -0.258
local terms energy: -103.526162
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -123.038298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.038298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.038298 (E_RNA)
where:
Base-Base interactions energy: -32.219
where: short stacking energy: -31.968
Base-Backbone interact. energy: -0.050
local terms energy: -90.769715
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -172.383427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.383427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.383427 (E_RNA)
where:
Base-Base interactions energy: -91.486
where: short stacking energy: -42.155
Base-Backbone interact. energy: -0.130
local terms energy: -80.767127
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -15.669
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: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -114.134804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.134804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.134804 (E_RNA)
where:
Base-Base interactions energy: -46.558
where: short stacking energy: -27.004
Base-Backbone interact. energy: 4.519
local terms energy: -72.095870
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -0.353
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: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -400.884107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.884107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.884107 (E_RNA)
where:
Base-Base interactions energy: -279.062
where: short stacking energy: -111.261
Base-Backbone interact. energy: -1.115
local terms energy: -120.707596
where:
bonds (distance) C4'-P energy: -25.281
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -31.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -367.306701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.306701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.306701 (E_RNA)
where:
Base-Base interactions energy: -231.188
where: short stacking energy: -113.616
Base-Backbone interact. energy: -1.173
local terms energy: -134.945919
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -25.972
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -38.362
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: 447
Temperature: 1.000000
Total energy: -320.047997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.047997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.047997 (E_RNA)
where:
Base-Base interactions energy: -216.165
where: short stacking energy: -97.084
Base-Backbone interact. energy: -0.079
local terms energy: -103.803687
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -22.379
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -30.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -301.815092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.815092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.815092 (E_RNA)
where:
Base-Base interactions energy: -192.683
where: short stacking energy: -84.040
Base-Backbone interact. energy: -0.122
local terms energy: -109.009588
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -19.210
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: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -300.512344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.512344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.512344 (E_RNA)
where:
Base-Base interactions energy: -205.778
where: short stacking energy: -87.062
Base-Backbone interact. energy: -0.408
local terms energy: -94.326748
where:
bonds (distance) C4'-P energy: -24.715
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -13.049
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: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -291.470033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.470033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.470033 (E_RNA)
where:
Base-Base interactions energy: -190.620
where: short stacking energy: -86.972
Base-Backbone interact. energy: -0.302
local terms energy: -100.548577
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -21.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -241.770060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.770060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.770060 (E_RNA)
where:
Base-Base interactions energy: -152.780
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.515
local terms energy: -88.474581
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -9.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -183.841966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.841966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.841966 (E_RNA)
where:
Base-Base interactions energy: -106.877
where: short stacking energy: -55.136
Base-Backbone interact. energy: -0.293
local terms energy: -76.671963
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -10.394
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: 447
Temperature: 1.300000
Total energy: -116.958580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.958580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.958580 (E_RNA)
where:
Base-Base interactions energy: -43.875
where: short stacking energy: -22.244
Base-Backbone interact. energy: -0.433
local terms energy: -72.650552
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: 3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -102.233887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.233887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.233887 (E_RNA)
where:
Base-Base interactions energy: -37.292
where: short stacking energy: -14.510
Base-Backbone interact. energy: -0.221
local terms energy: -64.721012
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: 9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -398.504865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.504865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.504865 (E_RNA)
where:
Base-Base interactions energy: -277.512
where: short stacking energy: -105.511
Base-Backbone interact. energy: -0.103
local terms energy: -120.889066
where:
bonds (distance) C4'-P energy: -26.250
bonds (distance) P-C4' energy: -26.636
flat angles C4'-P-C4' energy: -25.521
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -29.050
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: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -350.605356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.605356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.605356 (E_RNA)
where:
Base-Base interactions energy: -228.246
where: short stacking energy: -114.242
Base-Backbone interact. energy: -0.045
local terms energy: -122.314234
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -33.518
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: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -318.554501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.554501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.554501 (E_RNA)
where:
Base-Base interactions energy: -195.841
where: short stacking energy: -94.776
Base-Backbone interact. energy: -0.775
local terms energy: -121.937986
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -28.700
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: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -311.708214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.708214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.708214 (E_RNA)
where:
Base-Base interactions energy: -199.733
where: short stacking energy: -95.632
Base-Backbone interact. energy: -0.751
local terms energy: -111.224675
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -27.441
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: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -280.744266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.744266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.744266 (E_RNA)
where:
Base-Base interactions energy: -176.469
where: short stacking energy: -85.693
Base-Backbone interact. energy: -0.337
local terms energy: -103.938292
where:
bonds (distance) C4'-P energy: -23.989
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -15.831
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: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -281.478902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.478902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.478902 (E_RNA)
where:
Base-Base interactions energy: -176.383
where: short stacking energy: -85.944
Base-Backbone interact. energy: -0.551
local terms energy: -104.544835
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -230.896926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.896926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.896926 (E_RNA)
where:
Base-Base interactions energy: -138.829
where: short stacking energy: -68.114
Base-Backbone interact. energy: 0.987
local terms energy: -93.054398
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -12.795
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: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -201.046888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.046888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.046888 (E_RNA)
where:
Base-Base interactions energy: -115.927
where: short stacking energy: -57.401
Base-Backbone interact. energy: -0.159
local terms energy: -84.960878
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -120.265978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.265978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.265978 (E_RNA)
where:
Base-Base interactions energy: -48.531
where: short stacking energy: -27.970
Base-Backbone interact. energy: -0.007
local terms energy: -71.727563
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: 4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -124.853420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.853420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.853420 (E_RNA)
where:
Base-Base interactions energy: -44.176
where: short stacking energy: -39.548
Base-Backbone interact. energy: -0.060
local terms energy: -80.617711
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: 0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -399.588011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.588011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.588011 (E_RNA)
where:
Base-Base interactions energy: -277.372
where: short stacking energy: -109.028
Base-Backbone interact. energy: -0.575
local terms energy: -121.640602
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: -27.022
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: 449
Temperature: 0.950000
Total energy: -349.336456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.336456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.336456 (E_RNA)
where:
Base-Base interactions energy: -241.749
where: short stacking energy: -103.784
Base-Backbone interact. energy: -0.047
local terms energy: -107.540190
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -30.899
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: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -309.927147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.927147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.927147 (E_RNA)
where:
Base-Base interactions energy: -191.045
where: short stacking energy: -95.341
Base-Backbone interact. energy: 0.358
local terms energy: -119.239553
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -24.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -289.449593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.449593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.449593 (E_RNA)
where:
Base-Base interactions energy: -193.058
where: short stacking energy: -84.949
Base-Backbone interact. energy: -0.136
local terms energy: -96.255188
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -22.959
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -15.167
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: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -280.104051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.104051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.104051 (E_RNA)
where:
Base-Base interactions energy: -173.270
where: short stacking energy: -79.545
Base-Backbone interact. energy: -0.190
local terms energy: -106.644460
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -14.019
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: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -288.975003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.975003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.975003 (E_RNA)
where:
Base-Base interactions energy: -178.379
where: short stacking energy: -84.019
Base-Backbone interact. energy: 0.121
local terms energy: -110.717542
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -242.439157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.439157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.439157 (E_RNA)
where:
Base-Base interactions energy: -154.507
where: short stacking energy: -59.271
Base-Backbone interact. energy: -0.673
local terms energy: -87.259139
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -188.623201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.623201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.623201 (E_RNA)
where:
Base-Base interactions energy: -102.920
where: short stacking energy: -50.145
Base-Backbone interact. energy: -0.256
local terms energy: -85.447589
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -127.473249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.473249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.473249 (E_RNA)
where:
Base-Base interactions energy: -49.513
where: short stacking energy: -49.497
Base-Backbone interact. energy: -0.069
local terms energy: -77.890721
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -125.777858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.777858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.777858 (E_RNA)
where:
Base-Base interactions energy: -43.565
where: short stacking energy: -42.543
Base-Backbone interact. energy: -0.760
local terms energy: -81.453437
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -7.630
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: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -389.276323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.276323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.276323 (E_RNA)
where:
Base-Base interactions energy: -266.848
where: short stacking energy: -105.616
Base-Backbone interact. energy: -0.194
local terms energy: -122.234242
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -31.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -366.329046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.329046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.329046 (E_RNA)
where:
Base-Base interactions energy: -234.374
where: short stacking energy: -103.957
Base-Backbone interact. energy: -1.023
local terms energy: -130.932255
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -28.876
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -33.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -313.626854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.626854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.626854 (E_RNA)
where:
Base-Base interactions energy: -187.965
where: short stacking energy: -97.119
Base-Backbone interact. energy: -0.265
local terms energy: -125.397005
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -28.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -310.643070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.643070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.643070 (E_RNA)
where:
Base-Base interactions energy: -193.648
where: short stacking energy: -101.420
Base-Backbone interact. energy: -0.046
local terms energy: -116.949236
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -28.862
flat angles C4'-P-C4' energy: -26.559
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -28.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -301.395878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.395878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.395878 (E_RNA)
where:
Base-Base interactions energy: -191.643
where: short stacking energy: -94.624
Base-Backbone interact. energy: 0.121
local terms energy: -109.873857
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -24.372
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -26.269
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: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -285.918577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.918577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.918577 (E_RNA)
where:
Base-Base interactions energy: -180.234
where: short stacking energy: -87.317
Base-Backbone interact. energy: -0.187
local terms energy: -105.497445
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -261.665267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.665267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.665267 (E_RNA)
where:
Base-Base interactions energy: -158.314
where: short stacking energy: -73.478
Base-Backbone interact. energy: -0.900
local terms energy: -102.451061
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -17.598
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: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -241.908204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.908204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.908204 (E_RNA)
where:
Base-Base interactions energy: -147.983
where: short stacking energy: -63.373
Base-Backbone interact. energy: 1.879
local terms energy: -95.804250
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -123.535702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.535702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.535702 (E_RNA)
where:
Base-Base interactions energy: -43.802
where: short stacking energy: -36.377
Base-Backbone interact. energy: -0.387
local terms energy: -79.346840
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -113.064351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.064351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.064351 (E_RNA)
where:
Base-Base interactions energy: -35.315
where: short stacking energy: -35.363
Base-Backbone interact. energy: -0.099
local terms energy: -77.650548
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: 2.504
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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -399.470176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.470176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.470176 (E_RNA)
where:
Base-Base interactions energy: -276.385
where: short stacking energy: -108.755
Base-Backbone interact. energy: -0.664
local terms energy: -122.421016
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -27.196
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -31.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -355.557938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.557938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.557938 (E_RNA)
where:
Base-Base interactions energy: -230.826
where: short stacking energy: -97.864
Base-Backbone interact. energy: -0.053
local terms energy: -124.679000
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -29.648
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -29.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -324.472894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.472894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.472894 (E_RNA)
where:
Base-Base interactions energy: -204.232
where: short stacking energy: -92.153
Base-Backbone interact. energy: -0.174
local terms energy: -120.066277
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -30.285
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: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -304.117894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.117894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.117894 (E_RNA)
where:
Base-Base interactions energy: -192.344
where: short stacking energy: -91.257
Base-Backbone interact. energy: -0.073
local terms energy: -111.701235
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -29.239
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: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -278.095519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.095519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.095519 (E_RNA)
where:
Base-Base interactions energy: -172.660
where: short stacking energy: -84.289
Base-Backbone interact. energy: -0.305
local terms energy: -105.130335
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -17.746
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: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -274.322023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.322023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.322023 (E_RNA)
where:
Base-Base interactions energy: -174.746
where: short stacking energy: -79.797
Base-Backbone interact. energy: -0.916
local terms energy: -98.660182
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -12.872
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: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -254.094310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.094310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.094310 (E_RNA)
where:
Base-Base interactions energy: -171.000
where: short stacking energy: -79.016
Base-Backbone interact. energy: -0.120
local terms energy: -82.974202
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -259.882812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.882812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.882812 (E_RNA)
where:
Base-Base interactions energy: -162.105
where: short stacking energy: -75.386
Base-Backbone interact. energy: -0.150
local terms energy: -97.628005
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -13.449
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: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -115.833167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.833167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.833167 (E_RNA)
where:
Base-Base interactions energy: -39.271
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.405
local terms energy: -76.156700
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -9.746
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: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -121.387244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.387244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.387244 (E_RNA)
where:
Base-Base interactions energy: -37.581
where: short stacking energy: -37.581
Base-Backbone interact. energy: -0.184
local terms energy: -83.622567
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -399.268734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.268734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.268734 (E_RNA)
where:
Base-Base interactions energy: -280.481
where: short stacking energy: -109.556
Base-Backbone interact. energy: -0.551
local terms energy: -118.236921
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -27.427
flat angles C4'-P-C4' energy: -25.572
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -26.066
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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -360.711481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.711481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.711481 (E_RNA)
where:
Base-Base interactions energy: -240.340
where: short stacking energy: -94.184
Base-Backbone interact. energy: -0.310
local terms energy: -120.061401
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -28.581
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -31.584
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: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -309.897540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.897540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.897540 (E_RNA)
where:
Base-Base interactions energy: -190.797
where: short stacking energy: -95.421
Base-Backbone interact. energy: -0.005
local terms energy: -119.094930
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -25.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -302.154326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.154326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.154326 (E_RNA)
where:
Base-Base interactions energy: -190.074
where: short stacking energy: -99.762
Base-Backbone interact. energy: -0.046
local terms energy: -112.034159
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -27.520
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -26.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -311.751962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.751962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.751962 (E_RNA)
where:
Base-Base interactions energy: -206.785
where: short stacking energy: -87.969
Base-Backbone interact. energy: -0.661
local terms energy: -104.305157
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -24.231
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: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -299.708212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.708212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.708212 (E_RNA)
where:
Base-Base interactions energy: -179.115
where: short stacking energy: -98.686
Base-Backbone interact. energy: -0.105
local terms energy: -120.488844
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -30.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -253.367104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.367104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.367104 (E_RNA)
where:
Base-Base interactions energy: -160.558
where: short stacking energy: -72.423
Base-Backbone interact. energy: -0.114
local terms energy: -92.694898
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -279.054337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.054337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.054337 (E_RNA)
where:
Base-Base interactions energy: -164.880
where: short stacking energy: -81.110
Base-Backbone interact. energy: -0.432
local terms energy: -113.742649
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -113.635863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.635863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.635863 (E_RNA)
where:
Base-Base interactions energy: -32.010
where: short stacking energy: -29.566
Base-Backbone interact. energy: -0.387
local terms energy: -81.238743
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: 1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -131.210418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.210418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.210418 (E_RNA)
where:
Base-Base interactions energy: -53.005
where: short stacking energy: -39.414
Base-Backbone interact. energy: -0.769
local terms energy: -77.437015
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -399.278678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.278678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.278678 (E_RNA)
where:
Base-Base interactions energy: -281.687
where: short stacking energy: -107.107
Base-Backbone interact. energy: 0.566
local terms energy: -118.157644
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -29.950
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -354.936079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.936079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.936079 (E_RNA)
where:
Base-Base interactions energy: -234.644
where: short stacking energy: -99.515
Base-Backbone interact. energy: 0.016
local terms energy: -120.308356
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -29.558
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: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -308.534663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.534663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.534663 (E_RNA)
where:
Base-Base interactions energy: -196.915
where: short stacking energy: -97.980
Base-Backbone interact. energy: -0.665
local terms energy: -110.955303
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -18.367
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: 453
Temperature: 1.050000
Total energy: -320.427631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.427631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.427631 (E_RNA)
where:
Base-Base interactions energy: -203.080
where: short stacking energy: -94.067
Base-Backbone interact. energy: -0.349
local terms energy: -116.997799
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -26.817
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -25.817
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: 453
Temperature: 1.100000
Total energy: -302.847259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.847259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.847259 (E_RNA)
where:
Base-Base interactions energy: -184.172
where: short stacking energy: -100.354
Base-Backbone interact. energy: -0.006
local terms energy: -118.669478
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -25.395
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -32.835
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: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -273.682577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.682577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.682577 (E_RNA)
where:
Base-Base interactions energy: -175.983
where: short stacking energy: -79.161
Base-Backbone interact. energy: -0.117
local terms energy: -97.582876
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -24.715
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -17.822
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: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -266.273603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.273603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.273603 (E_RNA)
where:
Base-Base interactions energy: -173.329
where: short stacking energy: -68.753
Base-Backbone interact. energy: -0.271
local terms energy: -92.674110
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -12.146
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: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -131.813403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.813403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.813403 (E_RNA)
where:
Base-Base interactions energy: -54.147
where: short stacking energy: -49.187
Base-Backbone interact. energy: -0.164
local terms energy: -77.501479
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -227.891989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.891989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.891989 (E_RNA)
where:
Base-Base interactions energy: -141.233
where: short stacking energy: -57.400
Base-Backbone interact. energy: -0.075
local terms energy: -86.584042
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -12.439
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: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -109.748857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.748857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.748857 (E_RNA)
where:
Base-Base interactions energy: -52.071
where: short stacking energy: -43.097
Base-Backbone interact. energy: -2.662
local terms energy: -55.015941
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -393.733651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.733651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.733651 (E_RNA)
where:
Base-Base interactions energy: -266.002
where: short stacking energy: -107.676
Base-Backbone interact. energy: -0.380
local terms energy: -127.351889
where:
bonds (distance) C4'-P energy: -26.724
bonds (distance) P-C4' energy: -28.020
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -26.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -343.137111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.137111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.137111 (E_RNA)
where:
Base-Base interactions energy: -225.509
where: short stacking energy: -109.880
Base-Backbone interact. energy: -0.085
local terms energy: -117.542499
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -30.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -321.765860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.765860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.765860 (E_RNA)
where:
Base-Base interactions energy: -210.779
where: short stacking energy: -94.674
Base-Backbone interact. energy: -2.507
local terms energy: -108.479359
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -29.550
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: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -307.008059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.008059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.008059 (E_RNA)
where:
Base-Base interactions energy: -203.521
where: short stacking energy: -92.096
Base-Backbone interact. energy: 0.819
local terms energy: -104.306340
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -26.389
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -22.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -278.651215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.651215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.651215 (E_RNA)
where:
Base-Base interactions energy: -180.208
where: short stacking energy: -81.317
Base-Backbone interact. energy: 1.146
local terms energy: -99.589164
where:
bonds (distance) C4'-P energy: -24.770
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -16.424
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: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -291.472610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.472610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.472610 (E_RNA)
where:
Base-Base interactions energy: -189.814
where: short stacking energy: -88.062
Base-Backbone interact. energy: 0.221
local terms energy: -101.879808
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -28.417
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: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -254.850965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.850965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.850965 (E_RNA)
where:
Base-Base interactions energy: -152.570
where: short stacking energy: -75.767
Base-Backbone interact. energy: -0.353
local terms energy: -101.928548
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -128.336530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.336530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.336530 (E_RNA)
where:
Base-Base interactions energy: -43.544
where: short stacking energy: -42.803
Base-Backbone interact. energy: -0.401
local terms energy: -84.391637
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -228.908944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.908944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.908944 (E_RNA)
where:
Base-Base interactions energy: -156.345
where: short stacking energy: -65.746
Base-Backbone interact. energy: -0.560
local terms energy: -72.003343
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -11.939
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: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -108.529708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.529708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.529708 (E_RNA)
where:
Base-Base interactions energy: -46.292
where: short stacking energy: -43.772
Base-Backbone interact. energy: -0.424
local terms energy: -61.813562
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -14.138
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: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -391.395587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.395587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.395587 (E_RNA)
where:
Base-Base interactions energy: -269.516
where: short stacking energy: -106.630
Base-Backbone interact. energy: -0.796
local terms energy: -121.083411
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -30.854
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: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -354.197568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.197568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.197568 (E_RNA)
where:
Base-Base interactions energy: -222.414
where: short stacking energy: -108.829
Base-Backbone interact. energy: -0.151
local terms energy: -131.632515
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -31.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -328.494332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.494332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.494332 (E_RNA)
where:
Base-Base interactions energy: -208.772
where: short stacking energy: -102.099
Base-Backbone interact. energy: -0.051
local terms energy: -119.672102
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -24.235
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: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -300.408085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.408085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.408085 (E_RNA)
where:
Base-Base interactions energy: -183.370
where: short stacking energy: -85.009
Base-Backbone interact. energy: 0.624
local terms energy: -117.661857
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -294.895013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.895013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.895013 (E_RNA)
where:
Base-Base interactions energy: -188.162
where: short stacking energy: -89.319
Base-Backbone interact. energy: 1.467
local terms energy: -108.200331
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -18.786
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: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -269.543073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.543073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.543073 (E_RNA)
where:
Base-Base interactions energy: -171.116
where: short stacking energy: -81.327
Base-Backbone interact. energy: -0.103
local terms energy: -98.323915
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -275.459709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.459709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.459709 (E_RNA)
where:
Base-Base interactions energy: -172.675
where: short stacking energy: -76.253
Base-Backbone interact. energy: -0.416
local terms energy: -102.368498
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -19.085
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: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -243.223894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.223894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.223894 (E_RNA)
where:
Base-Base interactions energy: -151.448
where: short stacking energy: -64.419
Base-Backbone interact. energy: -0.525
local terms energy: -91.251580
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -10.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -118.334433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.334433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.334433 (E_RNA)
where:
Base-Base interactions energy: -43.940
where: short stacking energy: -33.553
Base-Backbone interact. energy: -0.145
local terms energy: -74.249709
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -116.187295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.187295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.187295 (E_RNA)
where:
Base-Base interactions energy: -45.487
where: short stacking energy: -40.624
Base-Backbone interact. energy: -0.203
local terms energy: -70.497323
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -23.882
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -391.457716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.457716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.457716 (E_RNA)
where:
Base-Base interactions energy: -277.442
where: short stacking energy: -110.105
Base-Backbone interact. energy: 0.412
local terms energy: -114.427291
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -27.986
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: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -341.515847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.515847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.515847 (E_RNA)
where:
Base-Base interactions energy: -223.463
where: short stacking energy: -111.334
Base-Backbone interact. energy: -0.027
local terms energy: -118.025837
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -18.194
tors. eta vs tors. theta energy: -34.336
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: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -318.134793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.134793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.134793 (E_RNA)
where:
Base-Base interactions energy: -196.072
where: short stacking energy: -90.934
Base-Backbone interact. energy: -0.906
local terms energy: -121.156415
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -19.311
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: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -285.040707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.040707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.040707 (E_RNA)
where:
Base-Base interactions energy: -187.807
where: short stacking energy: -85.661
Base-Backbone interact. energy: -0.283
local terms energy: -96.951075
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -23.722
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: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -305.361537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.361537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.361537 (E_RNA)
where:
Base-Base interactions energy: -188.615
where: short stacking energy: -93.441
Base-Backbone interact. energy: -1.277
local terms energy: -115.469269
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -27.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -254.035394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.035394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.035394 (E_RNA)
where:
Base-Base interactions energy: -152.164
where: short stacking energy: -69.266
Base-Backbone interact. energy: -1.235
local terms energy: -100.637084
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -257.406058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.406058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.406058 (E_RNA)
where:
Base-Base interactions energy: -168.179
where: short stacking energy: -79.216
Base-Backbone interact. energy: -0.056
local terms energy: -89.171452
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -268.105418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.105418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.105418 (E_RNA)
where:
Base-Base interactions energy: -168.531
where: short stacking energy: -82.637
Base-Backbone interact. energy: -0.191
local terms energy: -99.382878
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -19.096
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: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -124.255501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.255501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.255501 (E_RNA)
where:
Base-Base interactions energy: -41.982
where: short stacking energy: -42.082
Base-Backbone interact. energy: -0.484
local terms energy: -81.788722
where:
bonds (distance) C4'-P energy: -25.589
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -116.669968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.669968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.669968 (E_RNA)
where:
Base-Base interactions energy: -32.011
where: short stacking energy: -32.011
Base-Backbone interact. energy: 2.676
local terms energy: -87.335104
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -2.336
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: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -395.979351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.979351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.979351 (E_RNA)
where:
Base-Base interactions energy: -279.686
where: short stacking energy: -106.626
Base-Backbone interact. energy: -0.228
local terms energy: -116.064832
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -27.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -337.671207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.671207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.671207 (E_RNA)
where:
Base-Base interactions energy: -219.504
where: short stacking energy: -106.202
Base-Backbone interact. energy: -0.145
local terms energy: -118.022632
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -29.169
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: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -334.712942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.712942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.712942 (E_RNA)
where:
Base-Base interactions energy: -216.325
where: short stacking energy: -102.484
Base-Backbone interact. energy: -0.835
local terms energy: -117.552645
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -25.581
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -29.289
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: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -322.517070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.517070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.517070 (E_RNA)
where:
Base-Base interactions energy: -208.412
where: short stacking energy: -98.499
Base-Backbone interact. energy: -0.044
local terms energy: -114.060735
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -28.755
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: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -313.172927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.172927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.172927 (E_RNA)
where:
Base-Base interactions energy: -197.885
where: short stacking energy: -78.334
Base-Backbone interact. energy: -0.191
local terms energy: -115.096563
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -28.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -273.115829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.115829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.115829 (E_RNA)
where:
Base-Base interactions energy: -167.796
where: short stacking energy: -78.770
Base-Backbone interact. energy: -0.458
local terms energy: -104.862186
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -23.799
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: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -250.817120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.817120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.817120 (E_RNA)
where:
Base-Base interactions energy: -154.472
where: short stacking energy: -66.749
Base-Backbone interact. energy: 1.091
local terms energy: -97.435309
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -24.273
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -253.585528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.585528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.585528 (E_RNA)
where:
Base-Base interactions energy: -158.183
where: short stacking energy: -77.406
Base-Backbone interact. energy: -0.697
local terms energy: -94.704996
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -136.357946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.357946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.357946 (E_RNA)
where:
Base-Base interactions energy: -72.058
where: short stacking energy: -41.727
Base-Backbone interact. energy: -0.989
local terms energy: -63.311093
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -3.019
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: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -107.666159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.666159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.666159 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -36.297
Base-Backbone interact. energy: -0.129
local terms energy: -71.239376
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 1.697
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: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -398.817429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.817429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.817429 (E_RNA)
where:
Base-Base interactions energy: -280.958
where: short stacking energy: -98.316
Base-Backbone interact. energy: -0.335
local terms energy: -117.524345
where:
bonds (distance) C4'-P energy: -25.171
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -26.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -350.804875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.804875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.804875 (E_RNA)
where:
Base-Base interactions energy: -231.289
where: short stacking energy: -116.882
Base-Backbone interact. energy: -0.415
local terms energy: -119.100245
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -35.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -317.401160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.401160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.401160 (E_RNA)
where:
Base-Base interactions energy: -201.313
where: short stacking energy: -87.561
Base-Backbone interact. energy: 0.237
local terms energy: -116.325565
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -26.000
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -31.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -313.334604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.334604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.334604 (E_RNA)
where:
Base-Base interactions energy: -201.473
where: short stacking energy: -79.831
Base-Backbone interact. energy: -1.153
local terms energy: -110.708677
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -290.311679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.311679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.311679 (E_RNA)
where:
Base-Base interactions energy: -185.102
where: short stacking energy: -85.556
Base-Backbone interact. energy: 2.836
local terms energy: -108.045714
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -25.876
flat angles C4'-P-C4' energy: -24.906
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -274.775968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.775968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.775968 (E_RNA)
where:
Base-Base interactions energy: -172.806
where: short stacking energy: -78.012
Base-Backbone interact. energy: -0.596
local terms energy: -101.373292
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -21.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -257.555913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.555913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.555913 (E_RNA)
where:
Base-Base interactions energy: -155.005
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.171
local terms energy: -102.380249
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -259.018318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.018318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.018318 (E_RNA)
where:
Base-Base interactions energy: -164.248
where: short stacking energy: -80.160
Base-Backbone interact. energy: 3.442
local terms energy: -98.211710
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -133.959025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.959025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.959025 (E_RNA)
where:
Base-Base interactions energy: -54.011
where: short stacking energy: -42.904
Base-Backbone interact. energy: 1.013
local terms energy: -80.960999
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -110.780862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.780862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.780862 (E_RNA)
where:
Base-Base interactions energy: -38.885
where: short stacking energy: -35.179
Base-Backbone interact. energy: -0.208
local terms energy: -71.688558
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -394.845613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.845613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.845613 (E_RNA)
where:
Base-Base interactions energy: -269.389
where: short stacking energy: -103.764
Base-Backbone interact. energy: 1.045
local terms energy: -126.501358
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -29.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -325.328753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.328753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.328753 (E_RNA)
where:
Base-Base interactions energy: -200.024
where: short stacking energy: -96.048
Base-Backbone interact. energy: 0.104
local terms energy: -125.408460
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -26.235
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -30.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -335.154055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.154055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.154055 (E_RNA)
where:
Base-Base interactions energy: -219.676
where: short stacking energy: -110.167
Base-Backbone interact. energy: 1.761
local terms energy: -117.239224
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -28.972
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: 459
Temperature: 1.050000
Total energy: -292.457024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.457024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.457024 (E_RNA)
where:
Base-Base interactions energy: -197.592
where: short stacking energy: -82.551
Base-Backbone interact. energy: -0.112
local terms energy: -94.752690
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -24.388
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -17.345
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: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -266.178651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.178651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.178651 (E_RNA)
where:
Base-Base interactions energy: -157.810
where: short stacking energy: -76.222
Base-Backbone interact. energy: -1.030
local terms energy: -107.338900
where:
bonds (distance) C4'-P energy: -27.717
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -277.690640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.690640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.690640 (E_RNA)
where:
Base-Base interactions energy: -182.606
where: short stacking energy: -75.894
Base-Backbone interact. energy: -0.077
local terms energy: -95.007597
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -27.107
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -218.324425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.324425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.324425 (E_RNA)
where:
Base-Base interactions energy: -133.367
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.107
local terms energy: -84.850999
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -249.164200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.164200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.164200 (E_RNA)
where:
Base-Base interactions energy: -166.709
where: short stacking energy: -80.618
Base-Backbone interact. energy: 0.413
local terms energy: -82.868792
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -121.759729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.759729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.759729 (E_RNA)
where:
Base-Base interactions energy: -50.623
where: short stacking energy: -31.245
Base-Backbone interact. energy: 6.188
local terms energy: -77.324246
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -25.429
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -107.216758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.216758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.216758 (E_RNA)
where:
Base-Base interactions energy: -41.704
where: short stacking energy: -19.377
Base-Backbone interact. energy: -1.112
local terms energy: -64.400127
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -398.949009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.949009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.949009 (E_RNA)
where:
Base-Base interactions energy: -278.185
where: short stacking energy: -104.367
Base-Backbone interact. energy: 0.296
local terms energy: -121.060097
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -20.333
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: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -339.269182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.269182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.269182 (E_RNA)
where:
Base-Base interactions energy: -210.361
where: short stacking energy: -105.114
Base-Backbone interact. energy: -0.531
local terms energy: -128.376829
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -24.175
flat angles C4'-P-C4' energy: -28.839
flat angles P-C4'-P energy: -17.924
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: 460
Temperature: 1.000000
Total energy: -319.653500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.653500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.653500 (E_RNA)
where:
Base-Base interactions energy: -225.639
where: short stacking energy: -94.096
Base-Backbone interact. energy: 2.211
local terms energy: -96.225761
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -12.632
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: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -349.460160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.460160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.460160 (E_RNA)
where:
Base-Base interactions energy: -225.161
where: short stacking energy: -112.881
Base-Backbone interact. energy: -0.040
local terms energy: -124.259100
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -28.692
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -33.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -265.387649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.387649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.387649 (E_RNA)
where:
Base-Base interactions energy: -161.791
where: short stacking energy: -81.936
Base-Backbone interact. energy: -0.448
local terms energy: -103.148338
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -22.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -286.711334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.711334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.711334 (E_RNA)
where:
Base-Base interactions energy: -184.530
where: short stacking energy: -79.993
Base-Backbone interact. energy: -0.923
local terms energy: -101.258876
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -24.140
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -24.950
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: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -255.474982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.474982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.474982 (E_RNA)
where:
Base-Base interactions energy: -163.252
where: short stacking energy: -74.904
Base-Backbone interact. energy: 0.629
local terms energy: -92.852084
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -239.021903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.021903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.021903 (E_RNA)
where:
Base-Base interactions energy: -153.023
where: short stacking energy: -82.198
Base-Backbone interact. energy: -0.016
local terms energy: -85.982035
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -23.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -123.363755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.363755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.363755 (E_RNA)
where:
Base-Base interactions energy: -36.188
where: short stacking energy: -36.188
Base-Backbone interact. energy: -0.112
local terms energy: -87.064016
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -120.316413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.316413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.316413 (E_RNA)
where:
Base-Base interactions energy: -48.726
where: short stacking energy: -36.814
Base-Backbone interact. energy: -0.593
local terms energy: -70.996478
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: 5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -394.413374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.413374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.413374 (E_RNA)
where:
Base-Base interactions energy: -275.940
where: short stacking energy: -105.833
Base-Backbone interact. energy: 0.120
local terms energy: -118.593206
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -325.754857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.754857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.754857 (E_RNA)
where:
Base-Base interactions energy: -206.006
where: short stacking energy: -101.262
Base-Backbone interact. energy: -0.020
local terms energy: -119.729127
where:
bonds (distance) C4'-P energy: -26.039
bonds (distance) P-C4' energy: -25.972
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -33.141
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: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -322.794768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.794768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.794768 (E_RNA)
where:
Base-Base interactions energy: -211.246
where: short stacking energy: -91.067
Base-Backbone interact. energy: -0.960
local terms energy: -110.588540
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -26.793
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: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -356.067628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.067628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.067628 (E_RNA)
where:
Base-Base interactions energy: -233.101
where: short stacking energy: -109.234
Base-Backbone interact. energy: -0.237
local terms energy: -122.729799
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -27.571
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -33.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -271.496067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.496067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.496067 (E_RNA)
where:
Base-Base interactions energy: -153.890
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.565
local terms energy: -117.041163
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -26.482
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -17.828
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: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -277.432877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.432877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.432877 (E_RNA)
where:
Base-Base interactions energy: -173.708
where: short stacking energy: -82.676
Base-Backbone interact. energy: -0.125
local terms energy: -103.599868
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -218.761979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.761979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.761979 (E_RNA)
where:
Base-Base interactions energy: -123.364
where: short stacking energy: -61.803
Base-Backbone interact. energy: -0.373
local terms energy: -95.024654
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -231.853105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.853105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.853105 (E_RNA)
where:
Base-Base interactions energy: -147.790
where: short stacking energy: -60.234
Base-Backbone interact. energy: -0.975
local terms energy: -83.088666
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -25.671
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -113.696346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.696346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.696346 (E_RNA)
where:
Base-Base interactions energy: -36.172
where: short stacking energy: -34.224
Base-Backbone interact. energy: -0.120
local terms energy: -77.404947
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -24.765
flat angles P-C4'-P energy: -12.560
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: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -102.325911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.325911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.325911 (E_RNA)
where:
Base-Base interactions energy: -41.613
where: short stacking energy: -39.386
Base-Backbone interact. energy: 0.487
local terms energy: -61.199817
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -405.050648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.050648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.050648 (E_RNA)
where:
Base-Base interactions energy: -286.606
where: short stacking energy: -100.594
Base-Backbone interact. energy: -0.410
local terms energy: -118.035228
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -15.424
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: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -344.453969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.453969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.453969 (E_RNA)
where:
Base-Base interactions energy: -225.796
where: short stacking energy: -111.263
Base-Backbone interact. energy: 0.080
local terms energy: -118.738868
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -34.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -350.114559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.114559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.114559 (E_RNA)
where:
Base-Base interactions energy: -225.867
where: short stacking energy: -108.556
Base-Backbone interact. energy: 0.397
local terms energy: -124.644795
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -31.835
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: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -309.558092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.558092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.558092 (E_RNA)
where:
Base-Base interactions energy: -193.511
where: short stacking energy: -92.113
Base-Backbone interact. energy: -0.413
local terms energy: -115.634213
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -25.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -300.251258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.251258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.251258 (E_RNA)
where:
Base-Base interactions energy: -196.905
where: short stacking energy: -93.343
Base-Backbone interact. energy: 0.331
local terms energy: -103.677756
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -26.276
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: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -267.102050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.102050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.102050 (E_RNA)
where:
Base-Base interactions energy: -172.456
where: short stacking energy: -81.197
Base-Backbone interact. energy: -0.174
local terms energy: -94.472131
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -248.843900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.843900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.843900 (E_RNA)
where:
Base-Base interactions energy: -162.879
where: short stacking energy: -72.328
Base-Backbone interact. energy: 1.482
local terms energy: -87.447394
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -237.358782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.358782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.358782 (E_RNA)
where:
Base-Base interactions energy: -159.124
where: short stacking energy: -55.265
Base-Backbone interact. energy: 0.210
local terms energy: -78.445348
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -110.905709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.905709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.905709 (E_RNA)
where:
Base-Base interactions energy: -34.683
where: short stacking energy: -27.101
Base-Backbone interact. energy: -0.488
local terms energy: -75.734837
where:
bonds (distance) C4'-P energy: -23.010
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -2.013
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: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -121.903726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.903726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.903726 (E_RNA)
where:
Base-Base interactions energy: -48.554
where: short stacking energy: -40.220
Base-Backbone interact. energy: -1.047
local terms energy: -72.302780
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: 2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -393.088810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.088810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.088810 (E_RNA)
where:
Base-Base interactions energy: -271.700
where: short stacking energy: -107.517
Base-Backbone interact. energy: -0.045
local terms energy: -121.344477
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -23.953
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -31.273
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: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -354.261708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.261708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.261708 (E_RNA)
where:
Base-Base interactions energy: -229.937
where: short stacking energy: -99.498
Base-Backbone interact. energy: -0.283
local terms energy: -124.041559
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -29.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -321.037243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.037243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.037243 (E_RNA)
where:
Base-Base interactions energy: -190.936
where: short stacking energy: -98.308
Base-Backbone interact. energy: -1.154
local terms energy: -128.947518
where:
bonds (distance) C4'-P energy: -27.179
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -335.589712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.589712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.589712 (E_RNA)
where:
Base-Base interactions energy: -238.396
where: short stacking energy: -91.732
Base-Backbone interact. energy: -0.545
local terms energy: -96.648026
where:
bonds (distance) C4'-P energy: -22.766
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -284.891697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.891697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.891697 (E_RNA)
where:
Base-Base interactions energy: -167.495
where: short stacking energy: -79.530
Base-Backbone interact. energy: -0.080
local terms energy: -117.316099
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -27.231
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -20.339
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: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -262.024603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.024603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.024603 (E_RNA)
where:
Base-Base interactions energy: -176.329
where: short stacking energy: -85.655
Base-Backbone interact. energy: 0.116
local terms energy: -85.811757
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -13.633
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: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -244.407221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.407221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.407221 (E_RNA)
where:
Base-Base interactions energy: -149.785
where: short stacking energy: -84.500
Base-Backbone interact. energy: 1.148
local terms energy: -95.770228
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -252.133270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.133270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.133270 (E_RNA)
where:
Base-Base interactions energy: -175.586
where: short stacking energy: -74.362
Base-Backbone interact. energy: -0.414
local terms energy: -76.133659
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -134.097900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.097900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.097900 (E_RNA)
where:
Base-Base interactions energy: -53.030
where: short stacking energy: -43.302
Base-Backbone interact. energy: -1.014
local terms energy: -80.053997
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -7.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -137.314256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.314256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.314256 (E_RNA)
where:
Base-Base interactions energy: -61.407
where: short stacking energy: -55.820
Base-Backbone interact. energy: -0.088
local terms energy: -75.819748
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -398.894418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.894418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.894418 (E_RNA)
where:
Base-Base interactions energy: -282.219
where: short stacking energy: -101.785
Base-Backbone interact. energy: -0.364
local terms energy: -116.311133
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -24.443
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: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -345.318764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.318764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.318764 (E_RNA)
where:
Base-Base interactions energy: -229.920
where: short stacking energy: -112.163
Base-Backbone interact. energy: -1.202
local terms energy: -114.196772
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -14.117
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: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -330.924134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.924134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.924134 (E_RNA)
where:
Base-Base interactions energy: -222.384
where: short stacking energy: -84.477
Base-Backbone interact. energy: -0.714
local terms energy: -107.826496
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -298.905568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.905568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.905568 (E_RNA)
where:
Base-Base interactions energy: -195.094
where: short stacking energy: -92.655
Base-Backbone interact. energy: -0.232
local terms energy: -103.579455
where:
bonds (distance) C4'-P energy: -23.145
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -14.465
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: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -294.170940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.170940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.170940 (E_RNA)
where:
Base-Base interactions energy: -171.346
where: short stacking energy: -81.999
Base-Backbone interact. energy: 0.339
local terms energy: -123.164449
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -25.083
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -25.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -269.513674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.513674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.513674 (E_RNA)
where:
Base-Base interactions energy: -169.077
where: short stacking energy: -76.132
Base-Backbone interact. energy: -0.405
local terms energy: -100.032013
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -266.011508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.011508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.011508 (E_RNA)
where:
Base-Base interactions energy: -173.518
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.189
local terms energy: -92.305195
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -249.841794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.841794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.841794 (E_RNA)
where:
Base-Base interactions energy: -158.923
where: short stacking energy: -79.449
Base-Backbone interact. energy: -0.080
local terms energy: -90.838796
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -11.199
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: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -113.191605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.191605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.191605 (E_RNA)
where:
Base-Base interactions energy: -48.077
where: short stacking energy: -41.589
Base-Backbone interact. energy: -0.399
local terms energy: -64.715931
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -5.656
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -109.422914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.422914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.422914 (E_RNA)
where:
Base-Base interactions energy: -40.860
where: short stacking energy: -35.345
Base-Backbone interact. energy: 1.321
local terms energy: -69.883921
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -390.642495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.642495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.642495 (E_RNA)
where:
Base-Base interactions energy: -270.308
where: short stacking energy: -103.044
Base-Backbone interact. energy: -0.855
local terms energy: -119.480010
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -26.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -343.757941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.757941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.757941 (E_RNA)
where:
Base-Base interactions energy: -223.543
where: short stacking energy: -97.394
Base-Backbone interact. energy: -0.227
local terms energy: -119.987286
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -27.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -309.318039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.318039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.318039 (E_RNA)
where:
Base-Base interactions energy: -199.346
where: short stacking energy: -89.453
Base-Backbone interact. energy: -1.105
local terms energy: -108.866846
where:
bonds (distance) C4'-P energy: -26.710
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -286.607258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.607258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.607258 (E_RNA)
where:
Base-Base interactions energy: -181.188
where: short stacking energy: -94.841
Base-Backbone interact. energy: -0.260
local terms energy: -105.159411
where:
bonds (distance) C4'-P energy: -23.995
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -22.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -285.695586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.695586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.695586 (E_RNA)
where:
Base-Base interactions energy: -185.951
where: short stacking energy: -89.383
Base-Backbone interact. energy: -0.352
local terms energy: -99.393114
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -23.453
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: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -284.475548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.475548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.475548 (E_RNA)
where:
Base-Base interactions energy: -190.504
where: short stacking energy: -75.959
Base-Backbone interact. energy: -0.986
local terms energy: -92.985709
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -15.620
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: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -264.455687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.455687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.455687 (E_RNA)
where:
Base-Base interactions energy: -159.920
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.168
local terms energy: -104.367611
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -243.640613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.640613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.640613 (E_RNA)
where:
Base-Base interactions energy: -137.077
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.058
local terms energy: -106.505637
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -12.545
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: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -126.096716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.096716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.096716 (E_RNA)
where:
Base-Base interactions energy: -43.532
where: short stacking energy: -40.969
Base-Backbone interact. energy: 0.680
local terms energy: -83.245003
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -115.637409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.637409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.637409 (E_RNA)
where:
Base-Base interactions energy: -46.195
where: short stacking energy: -43.488
Base-Backbone interact. energy: 0.701
local terms energy: -70.144109
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -0.805
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: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -359.747082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.747082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.747082 (E_RNA)
where:
Base-Base interactions energy: -238.260
where: short stacking energy: -112.165
Base-Backbone interact. energy: -0.364
local terms energy: -121.122614
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -20.114
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: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -398.358525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.358525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.358525 (E_RNA)
where:
Base-Base interactions energy: -273.739
where: short stacking energy: -99.997
Base-Backbone interact. energy: -0.979
local terms energy: -123.640556
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -19.617
tors. eta vs tors. theta energy: -25.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -309.934594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.934594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.934594 (E_RNA)
where:
Base-Base interactions energy: -196.461
where: short stacking energy: -87.840
Base-Backbone interact. energy: 1.504
local terms energy: -114.976937
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -15.859
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: 7
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -305.866206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.866206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.866206 (E_RNA)
where:
Base-Base interactions energy: -200.162
where: short stacking energy: -84.547
Base-Backbone interact. energy: -0.783
local terms energy: -104.920789
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -287.010201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.010201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.010201 (E_RNA)
where:
Base-Base interactions energy: -185.616
where: short stacking energy: -84.000
Base-Backbone interact. energy: -0.179
local terms energy: -101.215688
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -16.257
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: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -259.102258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.102258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.102258 (E_RNA)
where:
Base-Base interactions energy: -169.889
where: short stacking energy: -75.629
Base-Backbone interact. energy: -0.406
local terms energy: -88.807179
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -257.949319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.949319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.949319 (E_RNA)
where:
Base-Base interactions energy: -158.076
where: short stacking energy: -78.261
Base-Backbone interact. energy: -0.092
local terms energy: -99.781075
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -263.268343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.268343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.268343 (E_RNA)
where:
Base-Base interactions energy: -162.034
where: short stacking energy: -73.503
Base-Backbone interact. energy: 0.423
local terms energy: -101.657243
where:
bonds (distance) C4'-P energy: -24.302
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -122.338143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.338143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.338143 (E_RNA)
where:
Base-Base interactions energy: -48.386
where: short stacking energy: -36.394
Base-Backbone interact. energy: -0.234
local terms energy: -73.718692
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: 2.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -126.362564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.362564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.362564 (E_RNA)
where:
Base-Base interactions energy: -43.537
where: short stacking energy: -39.940
Base-Backbone interact. energy: -0.249
local terms energy: -82.576613
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -367.463445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.463445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.463445 (E_RNA)
where:
Base-Base interactions energy: -233.743
where: short stacking energy: -111.287
Base-Backbone interact. energy: -0.022
local terms energy: -133.697861
where:
bonds (distance) C4'-P energy: -27.803
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -26.979
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -35.728
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: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -402.664046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.664046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.664046 (E_RNA)
where:
Base-Base interactions energy: -285.363
where: short stacking energy: -117.183
Base-Backbone interact. energy: -1.382
local terms energy: -115.918999
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -25.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -317.759076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.759076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.759076 (E_RNA)
where:
Base-Base interactions energy: -198.041
where: short stacking energy: -90.073
Base-Backbone interact. energy: -0.183
local terms energy: -119.535800
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -31.042
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: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -297.385924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.385924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.385924 (E_RNA)
where:
Base-Base interactions energy: -177.330
where: short stacking energy: -85.085
Base-Backbone interact. energy: -0.217
local terms energy: -119.838630
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -27.085
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -17.725
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: 5, replica: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -301.081599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.081599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.081599 (E_RNA)
where:
Base-Base interactions energy: -188.988
where: short stacking energy: -87.142
Base-Backbone interact. energy: -0.139
local terms energy: -111.953714
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -26.832
flat angles C4'-P-C4' energy: -26.580
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -264.902646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.902646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.902646 (E_RNA)
where:
Base-Base interactions energy: -168.708
where: short stacking energy: -70.551
Base-Backbone interact. energy: -0.773
local terms energy: -95.421208
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -273.875495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.875495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.875495 (E_RNA)
where:
Base-Base interactions energy: -173.806
where: short stacking energy: -74.124
Base-Backbone interact. energy: -0.953
local terms energy: -99.116269
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -26.245
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -21.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -248.111304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.111304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.111304 (E_RNA)
where:
Base-Base interactions energy: -158.778
where: short stacking energy: -73.611
Base-Backbone interact. energy: 0.624
local terms energy: -89.957736
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -14.718
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: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -111.137764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.137764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.137764 (E_RNA)
where:
Base-Base interactions energy: -35.307
where: short stacking energy: -29.880
Base-Backbone interact. energy: -0.415
local terms energy: -75.415185
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -24.974
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: 6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -109.141274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.141274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.141274 (E_RNA)
where:
Base-Base interactions energy: -27.772
where: short stacking energy: -26.526
Base-Backbone interact. energy: -0.171
local terms energy: -81.198397
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -402.714073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.714073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.714073 (E_RNA)
where:
Base-Base interactions energy: -285.909
where: short stacking energy: -112.202
Base-Backbone interact. energy: -0.400
local terms energy: -116.405245
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -21.503
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: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -358.976714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.976714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.976714 (E_RNA)
where:
Base-Base interactions energy: -229.379
where: short stacking energy: -112.145
Base-Backbone interact. energy: -0.990
local terms energy: -128.607747
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -28.810
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -29.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -305.113069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.113069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.113069 (E_RNA)
where:
Base-Base interactions energy: -193.531
where: short stacking energy: -91.017
Base-Backbone interact. energy: -0.091
local terms energy: -111.491325
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -27.312
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -22.204
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: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -291.235631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.235631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.235631 (E_RNA)
where:
Base-Base interactions energy: -180.476
where: short stacking energy: -89.634
Base-Backbone interact. energy: -0.449
local terms energy: -110.311123
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -25.171
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -304.801920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.801920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.801920 (E_RNA)
where:
Base-Base interactions energy: -193.144
where: short stacking energy: -86.537
Base-Backbone interact. energy: -0.431
local terms energy: -111.227600
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -28.751
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -25.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -272.232279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.232279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.232279 (E_RNA)
where:
Base-Base interactions energy: -174.449
where: short stacking energy: -72.454
Base-Backbone interact. energy: -0.205
local terms energy: -97.578945
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -22.449
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -257.328084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.328084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.328084 (E_RNA)
where:
Base-Base interactions energy: -155.259
where: short stacking energy: -77.739
Base-Backbone interact. energy: 0.076
local terms energy: -102.145279
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -247.081839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.081839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.081839 (E_RNA)
where:
Base-Base interactions energy: -148.076
where: short stacking energy: -68.049
Base-Backbone interact. energy: -0.277
local terms energy: -98.728762
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -123.668326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.668326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.668326 (E_RNA)
where:
Base-Base interactions energy: -38.173
where: short stacking energy: -28.209
Base-Backbone interact. energy: -0.466
local terms energy: -85.028509
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -111.561442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.561442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.561442 (E_RNA)
where:
Base-Base interactions energy: -32.332
where: short stacking energy: -27.450
Base-Backbone interact. energy: -0.532
local terms energy: -78.697106
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -401.393060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.393060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.393060 (E_RNA)
where:
Base-Base interactions energy: -275.513
where: short stacking energy: -106.882
Base-Backbone interact. energy: 1.269
local terms energy: -127.148619
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -30.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -333.696569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.696569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.696569 (E_RNA)
where:
Base-Base interactions energy: -231.687
where: short stacking energy: -86.441
Base-Backbone interact. energy: -0.661
local terms energy: -101.348413
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -14.561
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: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -343.451642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.451642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.451642 (E_RNA)
where:
Base-Base interactions energy: -227.631
where: short stacking energy: -103.585
Base-Backbone interact. energy: -0.161
local terms energy: -115.659025
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -29.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -291.724332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.724332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.724332 (E_RNA)
where:
Base-Base interactions energy: -189.045
where: short stacking energy: -84.780
Base-Backbone interact. energy: -0.196
local terms energy: -102.483443
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -23.140
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -284.760237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.760237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.760237 (E_RNA)
where:
Base-Base interactions energy: -179.140
where: short stacking energy: -81.276
Base-Backbone interact. energy: -0.502
local terms energy: -105.118308
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -24.892
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -256.779664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.779664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.779664 (E_RNA)
where:
Base-Base interactions energy: -157.184
where: short stacking energy: -75.459
Base-Backbone interact. energy: -0.331
local terms energy: -99.264469
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -267.124542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.124542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.124542 (E_RNA)
where:
Base-Base interactions energy: -174.219
where: short stacking energy: -78.425
Base-Backbone interact. energy: -0.205
local terms energy: -92.700437
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -255.737406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.737406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.737406 (E_RNA)
where:
Base-Base interactions energy: -149.664
where: short stacking energy: -75.897
Base-Backbone interact. energy: -0.251
local terms energy: -105.822022
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -22.407
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: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -122.561012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.561012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.561012 (E_RNA)
where:
Base-Base interactions energy: -46.613
where: short stacking energy: -39.014
Base-Backbone interact. energy: -1.553
local terms energy: -74.395433
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -130.626422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.626422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.626422 (E_RNA)
where:
Base-Base interactions energy: -37.661
where: short stacking energy: -35.860
Base-Backbone interact. energy: -0.142
local terms energy: -92.823419
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -407.450773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.450773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.450773 (E_RNA)
where:
Base-Base interactions energy: -284.424
where: short stacking energy: -116.327
Base-Backbone interact. energy: -0.857
local terms energy: -122.169597
where:
bonds (distance) C4'-P energy: -26.897
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -29.079
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: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -321.089782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.089782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.089782 (E_RNA)
where:
Base-Base interactions energy: -199.795
where: short stacking energy: -93.026
Base-Backbone interact. energy: 0.311
local terms energy: -121.605616
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -27.980
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -18.303
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: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -350.972437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.972437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.972437 (E_RNA)
where:
Base-Base interactions energy: -221.430
where: short stacking energy: -104.721
Base-Backbone interact. energy: -0.505
local terms energy: -129.037634
where:
bonds (distance) C4'-P energy: -26.482
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -29.564
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: -37.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -296.081523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.081523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.081523 (E_RNA)
where:
Base-Base interactions energy: -179.442
where: short stacking energy: -96.459
Base-Backbone interact. energy: 0.340
local terms energy: -116.979874
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -287.640160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.640160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.640160 (E_RNA)
where:
Base-Base interactions energy: -180.499
where: short stacking energy: -84.154
Base-Backbone interact. energy: -0.026
local terms energy: -107.114765
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -19.435
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: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -268.206079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.206079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.206079 (E_RNA)
where:
Base-Base interactions energy: -167.158
where: short stacking energy: -82.878
Base-Backbone interact. energy: -1.476
local terms energy: -99.572163
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -27.241
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: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -263.824389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.824389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.824389 (E_RNA)
where:
Base-Base interactions energy: -161.258
where: short stacking energy: -75.479
Base-Backbone interact. energy: 2.034
local terms energy: -104.599873
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -251.285470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.285470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.285470 (E_RNA)
where:
Base-Base interactions energy: -148.759
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.214
local terms energy: -102.312462
where:
bonds (distance) C4'-P energy: -25.076
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -125.735416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.735416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.735416 (E_RNA)
where:
Base-Base interactions energy: -49.111
where: short stacking energy: -37.309
Base-Backbone interact. energy: -1.115
local terms energy: -75.509057
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: 0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -101.029678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.029678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.029678 (E_RNA)
where:
Base-Base interactions energy: -22.269
where: short stacking energy: -22.369
Base-Backbone interact. energy: -0.710
local terms energy: -78.051284
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: 5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -407.616192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.616192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.616192 (E_RNA)
where:
Base-Base interactions energy: -278.076
where: short stacking energy: -108.804
Base-Backbone interact. energy: -1.707
local terms energy: -127.833225
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -29.590
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -29.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -349.595342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.595342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.595342 (E_RNA)
where:
Base-Base interactions energy: -224.108
where: short stacking energy: -107.176
Base-Backbone interact. energy: -0.105
local terms energy: -125.382566
where:
bonds (distance) C4'-P energy: -22.483
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -39.354
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: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -319.161796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.161796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.161796 (E_RNA)
where:
Base-Base interactions energy: -205.149
where: short stacking energy: -95.773
Base-Backbone interact. energy: -0.571
local terms energy: -113.442041
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -28.913
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -27.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -299.824786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.824786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.824786 (E_RNA)
where:
Base-Base interactions energy: -188.269
where: short stacking energy: -89.494
Base-Backbone interact. energy: -0.054
local terms energy: -111.501583
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -25.127
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: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -282.391018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.391018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.391018 (E_RNA)
where:
Base-Base interactions energy: -180.782
where: short stacking energy: -85.352
Base-Backbone interact. energy: 0.380
local terms energy: -101.989185
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -253.313734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.313734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.313734 (E_RNA)
where:
Base-Base interactions energy: -151.523
where: short stacking energy: -75.020
Base-Backbone interact. energy: 0.952
local terms energy: -102.743079
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -13.821
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: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -254.384323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.384323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.384323 (E_RNA)
where:
Base-Base interactions energy: -164.717
where: short stacking energy: -74.612
Base-Backbone interact. energy: -0.182
local terms energy: -89.485657
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -269.256828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.256828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.256828 (E_RNA)
where:
Base-Base interactions energy: -157.566
where: short stacking energy: -77.039
Base-Backbone interact. energy: -0.999
local terms energy: -110.691723
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -15.550
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: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -135.472487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.472487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.472487 (E_RNA)
where:
Base-Base interactions energy: -58.129
where: short stacking energy: -37.317
Base-Backbone interact. energy: 0.011
local terms energy: -77.354127
where:
bonds (distance) C4'-P energy: -24.463
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -106.903141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.903141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.903141 (E_RNA)
where:
Base-Base interactions energy: -35.838
where: short stacking energy: -32.380
Base-Backbone interact. energy: 0.892
local terms energy: -71.957251
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -0.649
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: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -408.853728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.853728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.853728 (E_RNA)
where:
Base-Base interactions energy: -284.171
where: short stacking energy: -107.080
Base-Backbone interact. energy: -1.959
local terms energy: -122.723649
where:
bonds (distance) C4'-P energy: -28.622
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -27.836
flat angles P-C4'-P energy: -15.854
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: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -371.857574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.857574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.857574 (E_RNA)
where:
Base-Base interactions energy: -239.494
where: short stacking energy: -114.677
Base-Backbone interact. energy: -0.452
local terms energy: -131.911990
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -23.645
tors. eta vs tors. theta energy: -32.446
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: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -313.230952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.230952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.230952 (E_RNA)
where:
Base-Base interactions energy: -214.732
where: short stacking energy: -79.344
Base-Backbone interact. energy: -0.281
local terms energy: -98.217998
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -16.861
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: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -298.020293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.020293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.020293 (E_RNA)
where:
Base-Base interactions energy: -184.257
where: short stacking energy: -89.284
Base-Backbone interact. energy: 2.204
local terms energy: -115.967246
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -25.084
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -28.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -269.475395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.475395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.475395 (E_RNA)
where:
Base-Base interactions energy: -161.617
where: short stacking energy: -85.158
Base-Backbone interact. energy: -0.939
local terms energy: -106.919477
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -22.426
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -261.841449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.841449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.841449 (E_RNA)
where:
Base-Base interactions energy: -164.041
where: short stacking energy: -79.136
Base-Backbone interact. energy: 0.708
local terms energy: -98.508378
where:
bonds (distance) C4'-P energy: -27.419
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -239.523261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.523261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.523261 (E_RNA)
where:
Base-Base interactions energy: -142.621
where: short stacking energy: -70.123
Base-Backbone interact. energy: -0.256
local terms energy: -96.645862
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -253.726578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.726578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.726578 (E_RNA)
where:
Base-Base interactions energy: -150.173
where: short stacking energy: -72.309
Base-Backbone interact. energy: -1.580
local terms energy: -101.973576
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -121.895411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.895411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.895411 (E_RNA)
where:
Base-Base interactions energy: -50.770
where: short stacking energy: -39.596
Base-Backbone interact. energy: -1.276
local terms energy: -69.849376
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -118.766212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.766212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.766212 (E_RNA)
where:
Base-Base interactions energy: -42.493
where: short stacking energy: -27.357
Base-Backbone interact. energy: -0.300
local terms energy: -75.972754
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: 2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -395.779973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.779973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.779973 (E_RNA)
where:
Base-Base interactions energy: -277.757
where: short stacking energy: -97.469
Base-Backbone interact. energy: -1.443
local terms energy: -116.579902
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -26.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -354.390653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.390653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.390653 (E_RNA)
where:
Base-Base interactions energy: -234.679
where: short stacking energy: -109.956
Base-Backbone interact. energy: 0.849
local terms energy: -120.560527
where:
bonds (distance) C4'-P energy: -25.940
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -33.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -315.886284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.886284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.886284 (E_RNA)
where:
Base-Base interactions energy: -196.556
where: short stacking energy: -99.496
Base-Backbone interact. energy: -0.367
local terms energy: -118.963101
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -30.702
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: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -309.225347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.225347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.225347 (E_RNA)
where:
Base-Base interactions energy: -201.285
where: short stacking energy: -85.099
Base-Backbone interact. energy: -0.300
local terms energy: -107.640777
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -17.683
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: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -306.230653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.230653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.230653 (E_RNA)
where:
Base-Base interactions energy: -199.733
where: short stacking energy: -88.479
Base-Backbone interact. energy: -1.643
local terms energy: -104.854196
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -26.083
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: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -273.338496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.338496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.338496 (E_RNA)
where:
Base-Base interactions energy: -171.809
where: short stacking energy: -76.348
Base-Backbone interact. energy: 0.040
local terms energy: -101.570437
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -23.175
flat angles P-C4'-P energy: -12.966
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: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -197.703097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.703097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.703097 (E_RNA)
where:
Base-Base interactions energy: -111.813
where: short stacking energy: -42.679
Base-Backbone interact. energy: -0.075
local terms energy: -85.815104
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -25.923
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -11.326
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: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -224.428766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.428766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.428766 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -57.781
Base-Backbone interact. energy: -1.163
local terms energy: -82.024499
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -127.286340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.286340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.286340 (E_RNA)
where:
Base-Base interactions energy: -54.050
where: short stacking energy: -43.142
Base-Backbone interact. energy: -0.595
local terms energy: -72.641320
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: 2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -113.182050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.182050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.182050 (E_RNA)
where:
Base-Base interactions energy: -47.238
where: short stacking energy: -44.071
Base-Backbone interact. energy: -0.221
local terms energy: -65.722960
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -402.646126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.646126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.646126 (E_RNA)
where:
Base-Base interactions energy: -280.976
where: short stacking energy: -107.910
Base-Backbone interact. energy: -0.234
local terms energy: -121.436007
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -30.930
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: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -362.414736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.414736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.414736 (E_RNA)
where:
Base-Base interactions energy: -229.964
where: short stacking energy: -120.545
Base-Backbone interact. energy: -0.007
local terms energy: -132.444060
where:
bonds (distance) C4'-P energy: -25.995
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -35.178
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: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -315.652773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.652773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.652773 (E_RNA)
where:
Base-Base interactions energy: -197.838
where: short stacking energy: -96.960
Base-Backbone interact. energy: -0.067
local terms energy: -117.747632
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -23.005
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -29.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -303.109540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.109540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.109540 (E_RNA)
where:
Base-Base interactions energy: -201.852
where: short stacking energy: -80.607
Base-Backbone interact. energy: -0.700
local terms energy: -100.556973
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -276.893860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.893860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.893860 (E_RNA)
where:
Base-Base interactions energy: -175.223
where: short stacking energy: -80.265
Base-Backbone interact. energy: -0.224
local terms energy: -101.446401
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -12.381
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: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -268.382597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.382597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.382597 (E_RNA)
where:
Base-Base interactions energy: -167.388
where: short stacking energy: -79.916
Base-Backbone interact. energy: -0.499
local terms energy: -100.495702
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -17.496
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: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -222.417639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.417639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.417639 (E_RNA)
where:
Base-Base interactions energy: -124.960
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.754
local terms energy: -96.703364
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -17.614
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: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -233.761560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.761560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.761560 (E_RNA)
where:
Base-Base interactions energy: -136.213
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.445
local terms energy: -97.103708
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -11.445
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: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -133.284591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.284591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.284591 (E_RNA)
where:
Base-Base interactions energy: -59.991
where: short stacking energy: -43.670
Base-Backbone interact. energy: 0.971
local terms energy: -74.264966
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -126.092028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.092028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.092028 (E_RNA)
where:
Base-Base interactions energy: -53.406
where: short stacking energy: -30.766
Base-Backbone interact. energy: 1.500
local terms energy: -74.185973
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -403.158115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.158115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.158115 (E_RNA)
where:
Base-Base interactions energy: -284.097
where: short stacking energy: -105.562
Base-Backbone interact. energy: -1.503
local terms energy: -117.558966
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -23.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -362.382245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.382245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.382245 (E_RNA)
where:
Base-Base interactions energy: -238.506
where: short stacking energy: -109.923
Base-Backbone interact. energy: -1.873
local terms energy: -122.003335
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -25.092
flat angles P-C4'-P energy: -19.833
tors. eta vs tors. theta energy: -37.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -315.102083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.102083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.102083 (E_RNA)
where:
Base-Base interactions energy: -202.168
where: short stacking energy: -89.582
Base-Backbone interact. energy: -0.394
local terms energy: -112.540374
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -295.431614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.431614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.431614 (E_RNA)
where:
Base-Base interactions energy: -185.105
where: short stacking energy: -89.041
Base-Backbone interact. energy: -0.595
local terms energy: -109.732413
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -24.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -301.714200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.714200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.714200 (E_RNA)
where:
Base-Base interactions energy: -194.191
where: short stacking energy: -95.231
Base-Backbone interact. energy: -0.019
local terms energy: -107.503723
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -279.780409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.780409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.780409 (E_RNA)
where:
Base-Base interactions energy: -185.953
where: short stacking energy: -69.064
Base-Backbone interact. energy: -0.347
local terms energy: -93.480011
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -292.037646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.037646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.037646 (E_RNA)
where:
Base-Base interactions energy: -189.018
where: short stacking energy: -79.231
Base-Backbone interact. energy: -0.263
local terms energy: -102.756727
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -26.998
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -15.284
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: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -248.207104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.207104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.207104 (E_RNA)
where:
Base-Base interactions energy: -157.804
where: short stacking energy: -72.762
Base-Backbone interact. energy: -0.472
local terms energy: -89.931230
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -15.491
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: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -110.755254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.755254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.755254 (E_RNA)
where:
Base-Base interactions energy: -28.252
where: short stacking energy: -27.279
Base-Backbone interact. energy: 0.346
local terms energy: -82.849889
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: 6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -120.058397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.058397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.058397 (E_RNA)
where:
Base-Base interactions energy: -40.947
where: short stacking energy: -25.476
Base-Backbone interact. energy: 1.305
local terms energy: -80.416586
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -10.748
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: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -397.989595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.989595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.989595 (E_RNA)
where:
Base-Base interactions energy: -281.627
where: short stacking energy: -103.452
Base-Backbone interact. energy: -0.956
local terms energy: -115.406151
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -28.273
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -24.673
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: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -354.356944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.356944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.356944 (E_RNA)
where:
Base-Base interactions energy: -228.971
where: short stacking energy: -114.558
Base-Backbone interact. energy: -0.337
local terms energy: -125.049710
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -25.976
flat angles P-C4'-P energy: -20.406
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: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -318.016194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.016194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.016194 (E_RNA)
where:
Base-Base interactions energy: -198.788
where: short stacking energy: -106.444
Base-Backbone interact. energy: -0.171
local terms energy: -119.057684
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -313.862491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.862491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.862491 (E_RNA)
where:
Base-Base interactions energy: -196.944
where: short stacking energy: -98.947
Base-Backbone interact. energy: -0.466
local terms energy: -116.452279
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -24.983
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -29.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -294.745902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.745902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.745902 (E_RNA)
where:
Base-Base interactions energy: -182.583
where: short stacking energy: -86.967
Base-Backbone interact. energy: -0.060
local terms energy: -112.102261
where:
bonds (distance) C4'-P energy: -27.372
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -28.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -297.564605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.564605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.564605 (E_RNA)
where:
Base-Base interactions energy: -182.971
where: short stacking energy: -91.426
Base-Backbone interact. energy: -0.437
local terms energy: -114.157371
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -28.345
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: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -268.498378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.498378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.498378 (E_RNA)
where:
Base-Base interactions energy: -181.626
where: short stacking energy: -70.078
Base-Backbone interact. energy: -0.022
local terms energy: -86.850223
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -265.883233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.883233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.883233 (E_RNA)
where:
Base-Base interactions energy: -162.678
where: short stacking energy: -72.338
Base-Backbone interact. energy: 0.292
local terms energy: -103.496945
where:
bonds (distance) C4'-P energy: -25.223
bonds (distance) P-C4' energy: -24.552
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -123.128044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.128044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.128044 (E_RNA)
where:
Base-Base interactions energy: -40.454
where: short stacking energy: -36.379
Base-Backbone interact. energy: -0.590
local terms energy: -82.083707
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -2.515
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: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -137.902899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.902899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.902899 (E_RNA)
where:
Base-Base interactions energy: -70.383
where: short stacking energy: -51.199
Base-Backbone interact. energy: -0.225
local terms energy: -67.295323
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -397.838331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.838331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.838331 (E_RNA)
where:
Base-Base interactions energy: -277.986
where: short stacking energy: -101.683
Base-Backbone interact. energy: 0.073
local terms energy: -119.925439
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -28.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -324.445716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.445716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.445716 (E_RNA)
where:
Base-Base interactions energy: -200.703
where: short stacking energy: -104.999
Base-Backbone interact. energy: -0.081
local terms energy: -123.662613
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -27.535
flat angles C4'-P-C4' energy: -26.255
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -28.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -343.807982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.807982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.807982 (E_RNA)
where:
Base-Base interactions energy: -217.088
where: short stacking energy: -102.491
Base-Backbone interact. energy: -0.040
local terms energy: -126.679430
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -30.964
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: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -306.417319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.417319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.417319 (E_RNA)
where:
Base-Base interactions energy: -198.219
where: short stacking energy: -92.584
Base-Backbone interact. energy: -0.127
local terms energy: -108.071331
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -25.803
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: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -288.780454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.780454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.780454 (E_RNA)
where:
Base-Base interactions energy: -185.749
where: short stacking energy: -79.529
Base-Backbone interact. energy: -1.139
local terms energy: -101.892668
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -275.790923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.790923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.790923 (E_RNA)
where:
Base-Base interactions energy: -182.500
where: short stacking energy: -80.669
Base-Backbone interact. energy: -0.784
local terms energy: -92.507020
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -287.030341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.030341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.030341 (E_RNA)
where:
Base-Base interactions energy: -175.748
where: short stacking energy: -84.953
Base-Backbone interact. energy: 0.381
local terms energy: -111.663854
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -245.152819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.152819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.152819 (E_RNA)
where:
Base-Base interactions energy: -145.619
where: short stacking energy: -60.546
Base-Backbone interact. energy: -0.708
local terms energy: -98.825938
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -25.916
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -10.731
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: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -128.817096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.817096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.817096 (E_RNA)
where:
Base-Base interactions energy: -48.361
where: short stacking energy: -33.467
Base-Backbone interact. energy: 2.325
local terms energy: -82.780246
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -5.991
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: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -113.937581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.937581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.937581 (E_RNA)
where:
Base-Base interactions energy: -49.814
where: short stacking energy: -37.254
Base-Backbone interact. energy: 0.728
local terms energy: -64.851787
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: 0.049
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: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -405.953717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.953717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.953717 (E_RNA)
where:
Base-Base interactions energy: -284.859
where: short stacking energy: -106.720
Base-Backbone interact. energy: -1.018
local terms energy: -120.077309
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -27.233
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -27.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -316.271124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.271124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.271124 (E_RNA)
where:
Base-Base interactions energy: -188.654
where: short stacking energy: -94.020
Base-Backbone interact. energy: -0.870
local terms energy: -126.747129
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -29.100
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: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -339.127849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.127849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.127849 (E_RNA)
where:
Base-Base interactions energy: -222.743
where: short stacking energy: -108.393
Base-Backbone interact. energy: -0.397
local terms energy: -115.986920
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -27.500
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -35.817
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: 478
Temperature: 1.050000
Total energy: -301.970794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.970794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.970794 (E_RNA)
where:
Base-Base interactions energy: -202.054
where: short stacking energy: -97.228
Base-Backbone interact. energy: -0.159
local terms energy: -99.758102
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -24.436
flat angles P-C4'-P energy: -14.036
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: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -298.723743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.723743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.723743 (E_RNA)
where:
Base-Base interactions energy: -189.168
where: short stacking energy: -92.571
Base-Backbone interact. energy: -0.408
local terms energy: -109.147586
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -26.856
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: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -268.845645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.845645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.845645 (E_RNA)
where:
Base-Base interactions energy: -176.774
where: short stacking energy: -83.158
Base-Backbone interact. energy: 0.052
local terms energy: -92.123811
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -14.215
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: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -263.021933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.021933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.021933 (E_RNA)
where:
Base-Base interactions energy: -169.302
where: short stacking energy: -72.722
Base-Backbone interact. energy: -0.703
local terms energy: -93.017007
where:
bonds (distance) C4'-P energy: -25.027
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -264.204496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.204496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.204496 (E_RNA)
where:
Base-Base interactions energy: -167.839
where: short stacking energy: -72.515
Base-Backbone interact. energy: -0.701
local terms energy: -95.663732
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -124.215758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.215758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.215758 (E_RNA)
where:
Base-Base interactions energy: -40.276
where: short stacking energy: -35.824
Base-Backbone interact. energy: -0.143
local terms energy: -83.796779
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -8.012
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: 478
Temperature: 1.350000
Total energy: -115.269369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.269369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.269369 (E_RNA)
where:
Base-Base interactions energy: -37.813
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.278
local terms energy: -77.178940
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -13.220
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: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -403.711600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.711600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.711600 (E_RNA)
where:
Base-Base interactions energy: -280.003
where: short stacking energy: -100.458
Base-Backbone interact. energy: -2.277
local terms energy: -121.432139
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -28.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -353.886042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.886042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.886042 (E_RNA)
where:
Base-Base interactions energy: -239.931
where: short stacking energy: -113.426
Base-Backbone interact. energy: 0.435
local terms energy: -114.390133
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -28.770
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: 3, replica: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -307.327476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.327476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.327476 (E_RNA)
where:
Base-Base interactions energy: -176.093
where: short stacking energy: -92.419
Base-Backbone interact. energy: -0.097
local terms energy: -131.138042
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -27.625
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -24.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -292.526341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.526341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.526341 (E_RNA)
where:
Base-Base interactions energy: -197.455
where: short stacking energy: -81.625
Base-Backbone interact. energy: 0.570
local terms energy: -95.640707
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -14.150
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: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -295.705268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.705268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.705268 (E_RNA)
where:
Base-Base interactions energy: -181.024
where: short stacking energy: -97.517
Base-Backbone interact. energy: 0.248
local terms energy: -114.929307
where:
bonds (distance) C4'-P energy: -24.915
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -266.350496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.350496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.350496 (E_RNA)
where:
Base-Base interactions energy: -170.528
where: short stacking energy: -71.069
Base-Backbone interact. energy: -0.314
local terms energy: -95.508748
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -253.945596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.945596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.945596 (E_RNA)
where:
Base-Base interactions energy: -169.590
where: short stacking energy: -83.213
Base-Backbone interact. energy: -0.199
local terms energy: -84.156530
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -123.478305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.478305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.478305 (E_RNA)
where:
Base-Base interactions energy: -46.580
where: short stacking energy: -39.680
Base-Backbone interact. energy: -0.684
local terms energy: -76.214417
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -6.709
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: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -265.400368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.400368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.400368 (E_RNA)
where:
Base-Base interactions energy: -169.007
where: short stacking energy: -72.490
Base-Backbone interact. energy: -0.070
local terms energy: -96.322971
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -21.627
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: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -121.140199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.140199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.140199 (E_RNA)
where:
Base-Base interactions energy: -40.928
where: short stacking energy: -30.776
Base-Backbone interact. energy: -0.405
local terms energy: -79.807085
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -15.237
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: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -400.383079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.383079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.383079 (E_RNA)
where:
Base-Base interactions energy: -284.200
where: short stacking energy: -107.668
Base-Backbone interact. energy: -1.944
local terms energy: -114.238533
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -16.035
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: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -360.211397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.211397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.211397 (E_RNA)
where:
Base-Base interactions energy: -223.460
where: short stacking energy: -97.870
Base-Backbone interact. energy: -0.049
local terms energy: -136.702641
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -27.328
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -31.227
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: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -309.292119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.292119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.292119 (E_RNA)
where:
Base-Base interactions energy: -190.739
where: short stacking energy: -87.487
Base-Backbone interact. energy: -0.029
local terms energy: -118.523892
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -25.731
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -25.027
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: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -307.984595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.984595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.984595 (E_RNA)
where:
Base-Base interactions energy: -188.338
where: short stacking energy: -86.424
Base-Backbone interact. energy: -0.206
local terms energy: -119.440763
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -25.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -294.154685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.154685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.154685 (E_RNA)
where:
Base-Base interactions energy: -187.254
where: short stacking energy: -79.728
Base-Backbone interact. energy: -0.110
local terms energy: -106.790449
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -26.503
flat angles C4'-P-C4' energy: -26.244
flat angles P-C4'-P energy: -16.260
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: 6, replica: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -266.013976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.013976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.013976 (E_RNA)
where:
Base-Base interactions energy: -172.236
where: short stacking energy: -69.952
Base-Backbone interact. energy: 0.225
local terms energy: -94.002500
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -13.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -248.311207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.311207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.311207 (E_RNA)
where:
Base-Base interactions energy: -146.848
where: short stacking energy: -68.974
Base-Backbone interact. energy: -0.248
local terms energy: -101.215693
where:
bonds (distance) C4'-P energy: -24.989
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -132.708815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.708815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.708815 (E_RNA)
where:
Base-Base interactions energy: -54.602
where: short stacking energy: -38.585
Base-Backbone interact. energy: 0.875
local terms energy: -78.982525
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: 2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -242.588047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.588047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.588047 (E_RNA)
where:
Base-Base interactions energy: -142.678
where: short stacking energy: -60.106
Base-Backbone interact. energy: -0.469
local terms energy: -99.440880
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -14.561
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: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -109.117160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.117160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.117160 (E_RNA)
where:
Base-Base interactions energy: -47.931
where: short stacking energy: -36.474
Base-Backbone interact. energy: -0.428
local terms energy: -60.758218
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: 1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -410.687305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.687305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.687305 (E_RNA)
where:
Base-Base interactions energy: -280.860
where: short stacking energy: -109.044
Base-Backbone interact. energy: -2.464
local terms energy: -127.363969
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -28.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -351.274104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.274104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.274104 (E_RNA)
where:
Base-Base interactions energy: -223.449
where: short stacking energy: -109.177
Base-Backbone interact. energy: 0.170
local terms energy: -127.995174
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -32.603
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: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -305.911444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.911444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.911444 (E_RNA)
where:
Base-Base interactions energy: -195.414
where: short stacking energy: -93.845
Base-Backbone interact. energy: -0.416
local terms energy: -110.081949
where:
bonds (distance) C4'-P energy: -23.412
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -25.315
flat angles P-C4'-P energy: -18.323
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: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -304.093549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.093549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.093549 (E_RNA)
where:
Base-Base interactions energy: -187.800
where: short stacking energy: -85.362
Base-Backbone interact. energy: -0.169
local terms energy: -116.124312
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -30.584
flat angles C4'-P-C4' energy: -28.707
flat angles P-C4'-P energy: -18.912
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: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -294.697314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.697314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.697314 (E_RNA)
where:
Base-Base interactions energy: -186.025
where: short stacking energy: -81.287
Base-Backbone interact. energy: -1.111
local terms energy: -107.561332
where:
bonds (distance) C4'-P energy: -25.883
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -262.775953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.775953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.775953 (E_RNA)
where:
Base-Base interactions energy: -151.507
where: short stacking energy: -71.969
Base-Backbone interact. energy: -0.788
local terms energy: -110.480980
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -268.862742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.862742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.862742 (E_RNA)
where:
Base-Base interactions energy: -164.317
where: short stacking energy: -60.407
Base-Backbone interact. energy: -0.467
local terms energy: -104.078687
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -13.471
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: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -254.566729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.566729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.566729 (E_RNA)
where:
Base-Base interactions energy: -166.746
where: short stacking energy: -75.391
Base-Backbone interact. energy: -0.258
local terms energy: -87.562179
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -12.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -126.224545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.224545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.224545 (E_RNA)
where:
Base-Base interactions energy: -44.607
where: short stacking energy: -24.526
Base-Backbone interact. energy: -0.180
local terms energy: -81.437653
where:
bonds (distance) C4'-P energy: -26.989
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -0.877
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: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -127.702234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.702234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.702234 (E_RNA)
where:
Base-Base interactions energy: -42.603
where: short stacking energy: -21.889
Base-Backbone interact. energy: 1.280
local terms energy: -86.379067
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -23.213
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: 0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -424.101583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.101583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.101583 (E_RNA)
where:
Base-Base interactions energy: -298.534
where: short stacking energy: -114.491
Base-Backbone interact. energy: -0.595
local terms energy: -124.972519
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -31.395
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: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -355.615018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.615018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.615018 (E_RNA)
where:
Base-Base interactions energy: -232.056
where: short stacking energy: -116.854
Base-Backbone interact. energy: -0.372
local terms energy: -123.187064
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -35.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -324.011022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.011022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.011022 (E_RNA)
where:
Base-Base interactions energy: -210.241
where: short stacking energy: -110.138
Base-Backbone interact. energy: -0.078
local terms energy: -113.692709
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -32.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -308.160378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.160378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.160378 (E_RNA)
where:
Base-Base interactions energy: -187.184
where: short stacking energy: -98.908
Base-Backbone interact. energy: -0.037
local terms energy: -120.939367
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: -31.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -269.672334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.672334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.672334 (E_RNA)
where:
Base-Base interactions energy: -173.996
where: short stacking energy: -80.273
Base-Backbone interact. energy: -0.059
local terms energy: -95.617723
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -18.455
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: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -273.947945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.947945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.947945 (E_RNA)
where:
Base-Base interactions energy: -172.091
where: short stacking energy: -67.029
Base-Backbone interact. energy: -0.611
local terms energy: -101.245991
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -273.275882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.275882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.275882 (E_RNA)
where:
Base-Base interactions energy: -190.267
where: short stacking energy: -82.523
Base-Backbone interact. energy: -0.009
local terms energy: -83.000275
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -251.942965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.942965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.942965 (E_RNA)
where:
Base-Base interactions energy: -150.739
where: short stacking energy: -63.319
Base-Backbone interact. energy: -0.282
local terms energy: -100.922404
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -22.748
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -133.293323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.293323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.293323 (E_RNA)
where:
Base-Base interactions energy: -61.730
where: short stacking energy: -36.028
Base-Backbone interact. energy: 0.446
local terms energy: -72.009939
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -104.016552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.016552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.016552 (E_RNA)
where:
Base-Base interactions energy: -37.404
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.502
local terms energy: -66.109786
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: 6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -424.641529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.641529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.641529 (E_RNA)
where:
Base-Base interactions energy: -303.111
where: short stacking energy: -108.115
Base-Backbone interact. energy: -0.988
local terms energy: -120.542611
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -25.357
flat angles C4'-P-C4' energy: -28.754
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -27.328
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: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -349.903497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.903497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.903497 (E_RNA)
where:
Base-Base interactions energy: -216.367
where: short stacking energy: -107.076
Base-Backbone interact. energy: 0.598
local terms energy: -134.134364
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -28.389
flat angles P-C4'-P energy: -23.226
tors. eta vs tors. theta energy: -37.850
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: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -310.695110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.695110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.695110 (E_RNA)
where:
Base-Base interactions energy: -197.449
where: short stacking energy: -97.795
Base-Backbone interact. energy: -0.329
local terms energy: -112.917851
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -24.700
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: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -312.630863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.630863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.630863 (E_RNA)
where:
Base-Base interactions energy: -190.245
where: short stacking energy: -97.713
Base-Backbone interact. energy: 0.162
local terms energy: -122.548324
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -28.576
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -29.993
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: 5, replica: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -317.990511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.990511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.990511 (E_RNA)
where:
Base-Base interactions energy: -208.012
where: short stacking energy: -94.507
Base-Backbone interact. energy: -0.730
local terms energy: -109.248704
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -26.676
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -24.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -275.336831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.336831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.336831 (E_RNA)
where:
Base-Base interactions energy: -181.990
where: short stacking energy: -77.574
Base-Backbone interact. energy: 2.581
local terms energy: -95.927894
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -13.413
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: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -277.918028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.918028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.918028 (E_RNA)
where:
Base-Base interactions energy: -175.295
where: short stacking energy: -90.961
Base-Backbone interact. energy: -0.071
local terms energy: -102.552235
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -16.186
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: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -249.456187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.456187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.456187 (E_RNA)
where:
Base-Base interactions energy: -167.149
where: short stacking energy: -76.050
Base-Backbone interact. energy: -0.365
local terms energy: -81.942545
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -24.554
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -1.111
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: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -120.432209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.432209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.432209 (E_RNA)
where:
Base-Base interactions energy: -37.301
where: short stacking energy: -26.216
Base-Backbone interact. energy: -1.297
local terms energy: -81.834022
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -116.364058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.364058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.364058 (E_RNA)
where:
Base-Base interactions energy: -45.532
where: short stacking energy: -36.706
Base-Backbone interact. energy: -0.040
local terms energy: -70.792001
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -416.985341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.985341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.985341 (E_RNA)
where:
Base-Base interactions energy: -288.592
where: short stacking energy: -109.132
Base-Backbone interact. energy: -1.503
local terms energy: -126.890217
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -28.879
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: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -361.477471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.477471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.477471 (E_RNA)
where:
Base-Base interactions energy: -231.093
where: short stacking energy: -110.700
Base-Backbone interact. energy: -0.019
local terms energy: -130.365024
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -35.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -318.862449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.862449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.862449 (E_RNA)
where:
Base-Base interactions energy: -204.321
where: short stacking energy: -99.881
Base-Backbone interact. energy: -0.044
local terms energy: -114.497532
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -13.857
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: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -308.160659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.160659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.160659 (E_RNA)
where:
Base-Base interactions energy: -198.127
where: short stacking energy: -107.541
Base-Backbone interact. energy: -0.070
local terms energy: -109.963436
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -32.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -296.519886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.519886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.519886 (E_RNA)
where:
Base-Base interactions energy: -194.473
where: short stacking energy: -89.692
Base-Backbone interact. energy: -0.410
local terms energy: -101.636236
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -16.263
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: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -281.187201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.187201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.187201 (E_RNA)
where:
Base-Base interactions energy: -169.904
where: short stacking energy: -88.345
Base-Backbone interact. energy: -0.572
local terms energy: -110.710528
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -24.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -268.116531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.116531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.116531 (E_RNA)
where:
Base-Base interactions energy: -170.065
where: short stacking energy: -75.314
Base-Backbone interact. energy: -0.320
local terms energy: -97.731559
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -18.631
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: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -257.901918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.901918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.901918 (E_RNA)
where:
Base-Base interactions energy: -175.234
where: short stacking energy: -64.961
Base-Backbone interact. energy: -0.404
local terms energy: -82.263922
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -152.521629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.521629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.521629 (E_RNA)
where:
Base-Base interactions energy: -82.180
where: short stacking energy: -41.566
Base-Backbone interact. energy: -0.163
local terms energy: -70.179048
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -96.927277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.927277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.927277 (E_RNA)
where:
Base-Base interactions energy: -38.960
where: short stacking energy: -33.298
Base-Backbone interact. energy: 0.341
local terms energy: -58.307936
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: 2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -407.125292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.125292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.125292 (E_RNA)
where:
Base-Base interactions energy: -277.460
where: short stacking energy: -99.675
Base-Backbone interact. energy: -1.157
local terms energy: -128.508710
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -27.749
flat angles C4'-P-C4' energy: -29.827
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -28.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -365.770233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.770233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.770233 (E_RNA)
where:
Base-Base interactions energy: -241.814
where: short stacking energy: -111.689
Base-Backbone interact. energy: -0.661
local terms energy: -123.295003
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -27.830
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -36.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -311.769561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.769561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.769561 (E_RNA)
where:
Base-Base interactions energy: -196.362
where: short stacking energy: -94.448
Base-Backbone interact. energy: -0.048
local terms energy: -115.359649
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -27.307
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -26.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -311.250284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.250284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.250284 (E_RNA)
where:
Base-Base interactions energy: -189.064
where: short stacking energy: -95.860
Base-Backbone interact. energy: -0.232
local terms energy: -121.954150
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -28.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -321.768899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.768899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.768899 (E_RNA)
where:
Base-Base interactions energy: -239.527
where: short stacking energy: -92.338
Base-Backbone interact. energy: -1.389
local terms energy: -80.852951
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -11.327
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: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -292.340727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.340727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.340727 (E_RNA)
where:
Base-Base interactions energy: -185.580
where: short stacking energy: -83.896
Base-Backbone interact. energy: -0.076
local terms energy: -106.685281
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -16.731
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: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -258.730056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.730056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.730056 (E_RNA)
where:
Base-Base interactions energy: -161.028
where: short stacking energy: -78.691
Base-Backbone interact. energy: -0.217
local terms energy: -97.484882
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -257.539658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.539658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.539658 (E_RNA)
where:
Base-Base interactions energy: -161.821
where: short stacking energy: -70.315
Base-Backbone interact. energy: 0.177
local terms energy: -95.896048
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -169.159516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.159516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.159516 (E_RNA)
where:
Base-Base interactions energy: -98.569
where: short stacking energy: -57.073
Base-Backbone interact. energy: -1.097
local terms energy: -69.493583
where:
bonds (distance) C4'-P energy: -7.440
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -135.553539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.553539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.553539 (E_RNA)
where:
Base-Base interactions energy: -49.222
where: short stacking energy: -35.409
Base-Backbone interact. energy: 2.476
local terms energy: -88.807735
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -402.690383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.690383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.690383 (E_RNA)
where:
Base-Base interactions energy: -279.191
where: short stacking energy: -111.917
Base-Backbone interact. energy: -0.818
local terms energy: -122.681559
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -33.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -359.639265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.639265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.639265 (E_RNA)
where:
Base-Base interactions energy: -227.616
where: short stacking energy: -111.334
Base-Backbone interact. energy: -0.062
local terms energy: -131.961209
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -26.679
flat angles C4'-P-C4' energy: -28.707
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -33.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -304.080924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.080924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.080924 (E_RNA)
where:
Base-Base interactions energy: -192.143
where: short stacking energy: -91.715
Base-Backbone interact. energy: -1.326
local terms energy: -110.612014
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -290.329283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.329283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.329283 (E_RNA)
where:
Base-Base interactions energy: -183.804
where: short stacking energy: -79.115
Base-Backbone interact. energy: -1.172
local terms energy: -105.353099
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -338.039560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.039560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.039560 (E_RNA)
where:
Base-Base interactions energy: -232.925
where: short stacking energy: -85.572
Base-Backbone interact. energy: -0.736
local terms energy: -104.378052
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -24.895
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -297.808201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.808201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.808201 (E_RNA)
where:
Base-Base interactions energy: -181.809
where: short stacking energy: -79.829
Base-Backbone interact. energy: -0.581
local terms energy: -115.418260
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -25.606
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: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -248.479086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.479086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.479086 (E_RNA)
where:
Base-Base interactions energy: -155.015
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.785
local terms energy: -92.679243
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -8.061
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: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -252.838476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.838476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.838476 (E_RNA)
where:
Base-Base interactions energy: -164.220
where: short stacking energy: -71.066
Base-Backbone interact. energy: -0.028
local terms energy: -88.590120
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -202.651799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.651799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.651799 (E_RNA)
where:
Base-Base interactions energy: -121.488
where: short stacking energy: -60.856
Base-Backbone interact. energy: -0.371
local terms energy: -80.792821
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -108.848742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.848742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.848742 (E_RNA)
where:
Base-Base interactions energy: -34.996
where: short stacking energy: -33.545
Base-Backbone interact. energy: -0.255
local terms energy: -73.597813
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -419.124193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.124193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.124193 (E_RNA)
where:
Base-Base interactions energy: -294.879
where: short stacking energy: -111.563
Base-Backbone interact. energy: 1.079
local terms energy: -125.323914
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -33.752
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: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -355.061282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.061282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.061282 (E_RNA)
where:
Base-Base interactions energy: -230.472
where: short stacking energy: -111.993
Base-Backbone interact. energy: -0.111
local terms energy: -124.478207
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -34.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -309.632094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.632094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.632094 (E_RNA)
where:
Base-Base interactions energy: -191.203
where: short stacking energy: -102.722
Base-Backbone interact. energy: -0.193
local terms energy: -118.235762
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -27.744
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -27.435
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: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -350.506288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.506288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.506288 (E_RNA)
where:
Base-Base interactions energy: -249.850
where: short stacking energy: -97.307
Base-Backbone interact. energy: 0.735
local terms energy: -101.392162
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -12.352
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: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -294.225906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.225906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.225906 (E_RNA)
where:
Base-Base interactions energy: -184.390
where: short stacking energy: -100.198
Base-Backbone interact. energy: 0.675
local terms energy: -110.511083
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -28.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -269.847469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.847469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.847469 (E_RNA)
where:
Base-Base interactions energy: -170.350
where: short stacking energy: -90.609
Base-Backbone interact. energy: -0.034
local terms energy: -99.463037
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -283.758865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.758865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.758865 (E_RNA)
where:
Base-Base interactions energy: -184.203
where: short stacking energy: -81.310
Base-Backbone interact. energy: -0.382
local terms energy: -99.173644
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -258.374381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.374381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.374381 (E_RNA)
where:
Base-Base interactions energy: -161.340
where: short stacking energy: -72.788
Base-Backbone interact. energy: -0.696
local terms energy: -96.338693
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -203.335456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.335456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.335456 (E_RNA)
where:
Base-Base interactions energy: -116.158
where: short stacking energy: -51.197
Base-Backbone interact. energy: 3.066
local terms energy: -90.244261
where:
bonds (distance) C4'-P energy: -25.026
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -115.450338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.450338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.450338 (E_RNA)
where:
Base-Base interactions energy: -30.030
where: short stacking energy: -24.871
Base-Backbone interact. energy: -0.252
local terms energy: -85.168833
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -407.736614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.736614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.736614 (E_RNA)
where:
Base-Base interactions energy: -288.959
where: short stacking energy: -105.224
Base-Backbone interact. energy: -0.569
local terms energy: -118.208694
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -16.745
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: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -364.027164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.027164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.027164 (E_RNA)
where:
Base-Base interactions energy: -230.118
where: short stacking energy: -119.303
Base-Backbone interact. energy: -0.129
local terms energy: -133.780001
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -27.363
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -34.184
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: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -372.804231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.804231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.804231 (E_RNA)
where:
Base-Base interactions energy: -258.824
where: short stacking energy: -95.119
Base-Backbone interact. energy: -1.354
local terms energy: -112.625701
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -22.641
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: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -297.728217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.728217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.728217 (E_RNA)
where:
Base-Base interactions energy: -174.255
where: short stacking energy: -90.837
Base-Backbone interact. energy: -0.336
local terms energy: -123.136419
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -26.126
flat angles C4'-P-C4' energy: -28.039
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -26.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -275.563644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.563644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.563644 (E_RNA)
where:
Base-Base interactions energy: -172.066
where: short stacking energy: -75.016
Base-Backbone interact. energy: 0.023
local terms energy: -103.520050
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -20.148
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: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -265.237203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.237203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.237203 (E_RNA)
where:
Base-Base interactions energy: -167.235
where: short stacking energy: -81.448
Base-Backbone interact. energy: -1.670
local terms energy: -96.331996
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -21.550
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: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -270.926779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.926779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.926779 (E_RNA)
where:
Base-Base interactions energy: -181.433
where: short stacking energy: -67.953
Base-Backbone interact. energy: -0.584
local terms energy: -88.910402
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -10.105
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: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -234.798087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.798087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.798087 (E_RNA)
where:
Base-Base interactions energy: -145.169
where: short stacking energy: -69.887
Base-Backbone interact. energy: -0.359
local terms energy: -89.269345
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -110.035718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.035718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.035718 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -32.401
Base-Backbone interact. energy: -0.297
local terms energy: -71.012750
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -28.081
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -166.948600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.948600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.948600 (E_RNA)
where:
Base-Base interactions energy: -95.080
where: short stacking energy: -39.164
Base-Backbone interact. energy: -0.577
local terms energy: -71.292008
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -1.802
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: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -403.881139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.881139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.881139 (E_RNA)
where:
Base-Base interactions energy: -279.362
where: short stacking energy: -111.500
Base-Backbone interact. energy: 0.581
local terms energy: -125.099581
where:
bonds (distance) C4'-P energy: -24.239
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -30.050
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -25.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -381.996672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.996672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.996672 (E_RNA)
where:
Base-Base interactions energy: -265.418
where: short stacking energy: -106.350
Base-Backbone interact. energy: -0.377
local terms energy: -116.202217
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -28.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -346.705819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.705819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.705819 (E_RNA)
where:
Base-Base interactions energy: -222.787
where: short stacking energy: -101.289
Base-Backbone interact. energy: -0.172
local terms energy: -123.746612
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -26.995
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -31.664
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: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -296.153607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.153607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.153607 (E_RNA)
where:
Base-Base interactions energy: -185.642
where: short stacking energy: -83.980
Base-Backbone interact. energy: 1.075
local terms energy: -111.586270
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -22.247
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: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -276.634978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.634978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.634978 (E_RNA)
where:
Base-Base interactions energy: -170.107
where: short stacking energy: -58.827
Base-Backbone interact. energy: -0.898
local terms energy: -105.629301
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -273.681700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.681700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.681700 (E_RNA)
where:
Base-Base interactions energy: -161.351
where: short stacking energy: -81.207
Base-Backbone interact. energy: -0.361
local terms energy: -111.969792
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -248.599845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.599845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.599845 (E_RNA)
where:
Base-Base interactions energy: -159.124
where: short stacking energy: -74.755
Base-Backbone interact. energy: 0.452
local terms energy: -89.927981
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -14.791
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: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -228.403980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.403980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.403980 (E_RNA)
where:
Base-Base interactions energy: -149.450
where: short stacking energy: -61.914
Base-Backbone interact. energy: 1.932
local terms energy: -80.885431
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -7.027
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: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -120.328638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.328638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.328638 (E_RNA)
where:
Base-Base interactions energy: -50.085
where: short stacking energy: -36.330
Base-Backbone interact. energy: -0.106
local terms energy: -70.138266
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: 7.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -127.661875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.661875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.661875 (E_RNA)
where:
Base-Base interactions energy: -44.591
where: short stacking energy: -43.715
Base-Backbone interact. energy: 1.355
local terms energy: -84.425801
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -27.230
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -13.334
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: 1, replica: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -384.984001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.984001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.984001 (E_RNA)
where:
Base-Base interactions energy: -269.402
where: short stacking energy: -103.893
Base-Backbone interact. energy: -0.106
local terms energy: -115.475514
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -31.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -400.367652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.367652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.367652 (E_RNA)
where:
Base-Base interactions energy: -282.254
where: short stacking energy: -108.654
Base-Backbone interact. energy: -0.938
local terms energy: -117.174996
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -27.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -344.618467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.618467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.618467 (E_RNA)
where:
Base-Base interactions energy: -218.901
where: short stacking energy: -111.386
Base-Backbone interact. energy: -0.018
local terms energy: -125.698747
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -25.816
flat angles P-C4'-P energy: -16.876
tors. eta vs tors. theta energy: -35.135
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: 490
Temperature: 1.050000
Total energy: -310.395232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.395232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.395232 (E_RNA)
where:
Base-Base interactions energy: -195.094
where: short stacking energy: -86.353
Base-Backbone interact. energy: -0.217
local terms energy: -115.084199
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -27.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -291.628471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.628471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.628471 (E_RNA)
where:
Base-Base interactions energy: -185.907
where: short stacking energy: -87.332
Base-Backbone interact. energy: 0.159
local terms energy: -105.880709
where:
bonds (distance) C4'-P energy: -26.186
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -288.030968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.030968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.030968 (E_RNA)
where:
Base-Base interactions energy: -177.219
where: short stacking energy: -83.675
Base-Backbone interact. energy: -0.497
local terms energy: -110.315120
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -23.359
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: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -262.605574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.605574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.605574 (E_RNA)
where:
Base-Base interactions energy: -159.891
where: short stacking energy: -74.734
Base-Backbone interact. energy: -0.270
local terms energy: -102.444528
where:
bonds (distance) C4'-P energy: -26.214
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -18.881
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: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -222.934314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.934314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.934314 (E_RNA)
where:
Base-Base interactions energy: -135.861
where: short stacking energy: -59.169
Base-Backbone interact. energy: -0.404
local terms energy: -86.669179
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -14.682
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: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -132.677178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.677178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.677178 (E_RNA)
where:
Base-Base interactions energy: -43.238
where: short stacking energy: -43.068
Base-Backbone interact. energy: 1.687
local terms energy: -91.126471
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -27.869
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -113.208064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.208064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.208064 (E_RNA)
where:
Base-Base interactions energy: -33.980
where: short stacking energy: -21.601
Base-Backbone interact. energy: -0.566
local terms energy: -78.662770
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: 5.425
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: 1, replica: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -395.042381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.042381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.042381 (E_RNA)
where:
Base-Base interactions energy: -273.154
where: short stacking energy: -102.691
Base-Backbone interact. energy: 0.229
local terms energy: -122.117305
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -18.056
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: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -396.374604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.374604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.374604 (E_RNA)
where:
Base-Base interactions energy: -275.738
where: short stacking energy: -109.799
Base-Backbone interact. energy: -0.198
local terms energy: -120.438385
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -25.815
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -28.597
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: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -349.281675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.281675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.281675 (E_RNA)
where:
Base-Base interactions energy: -223.017
where: short stacking energy: -98.487
Base-Backbone interact. energy: -0.052
local terms energy: -126.213190
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -28.454
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -28.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -310.076116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.076116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.076116 (E_RNA)
where:
Base-Base interactions energy: -196.076
where: short stacking energy: -104.712
Base-Backbone interact. energy: 0.508
local terms energy: -114.508507
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -31.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -296.037482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.037482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.037482 (E_RNA)
where:
Base-Base interactions energy: -182.486
where: short stacking energy: -77.186
Base-Backbone interact. energy: -0.292
local terms energy: -113.259189
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -27.261
flat angles P-C4'-P energy: -20.036
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: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -273.976744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.976744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.976744 (E_RNA)
where:
Base-Base interactions energy: -170.677
where: short stacking energy: -84.044
Base-Backbone interact. energy: -0.063
local terms energy: -103.236653
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -13.629
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: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -278.671034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.671034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.671034 (E_RNA)
where:
Base-Base interactions energy: -176.258
where: short stacking energy: -79.667
Base-Backbone interact. energy: -0.183
local terms energy: -102.230463
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -230.618180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.618180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.618180 (E_RNA)
where:
Base-Base interactions energy: -144.522
where: short stacking energy: -69.993
Base-Backbone interact. energy: -0.398
local terms energy: -85.698396
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -8.624
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: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -112.545090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.545090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.545090 (E_RNA)
where:
Base-Base interactions energy: -44.865
where: short stacking energy: -35.552
Base-Backbone interact. energy: 0.014
local terms energy: -67.694460
where:
bonds (distance) C4'-P energy: -24.558
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: 0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -107.385459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.385459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.385459 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -30.996
Base-Backbone interact. energy: -1.534
local terms energy: -66.236033
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: 8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -403.557211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.557211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.557211 (E_RNA)
where:
Base-Base interactions energy: -286.856
where: short stacking energy: -108.316
Base-Backbone interact. energy: -1.387
local terms energy: -115.314631
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -25.976
flat angles P-C4'-P energy: -19.630
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: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -388.266694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.266694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.266694 (E_RNA)
where:
Base-Base interactions energy: -268.471
where: short stacking energy: -100.679
Base-Backbone interact. energy: -0.003
local terms energy: -119.792511
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -29.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -357.981984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.981984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.981984 (E_RNA)
where:
Base-Base interactions energy: -229.485
where: short stacking energy: -115.224
Base-Backbone interact. energy: -0.207
local terms energy: -128.289622
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -36.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -278.963813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.963813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.963813 (E_RNA)
where:
Base-Base interactions energy: -164.647
where: short stacking energy: -81.411
Base-Backbone interact. energy: 0.042
local terms energy: -114.359084
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -27.365
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -19.329
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: 5, replica: 6
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -280.726720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.726720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.726720 (E_RNA)
where:
Base-Base interactions energy: -175.352
where: short stacking energy: -74.367
Base-Backbone interact. energy: -0.025
local terms energy: -105.350024
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -21.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -274.618907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.618907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.618907 (E_RNA)
where:
Base-Base interactions energy: -164.184
where: short stacking energy: -78.993
Base-Backbone interact. energy: -0.347
local terms energy: -110.087992
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -28.218
flat angles C4'-P-C4' energy: -26.179
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -263.992322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.992322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.992322 (E_RNA)
where:
Base-Base interactions energy: -178.169
where: short stacking energy: -82.307
Base-Backbone interact. energy: 3.016
local terms energy: -88.839668
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -240.995771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.995771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.995771 (E_RNA)
where:
Base-Base interactions energy: -151.747
where: short stacking energy: -69.001
Base-Backbone interact. energy: -0.361
local terms energy: -88.887115
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -119.487377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.487377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.487377 (E_RNA)
where:
Base-Base interactions energy: -46.360
where: short stacking energy: -32.651
Base-Backbone interact. energy: 1.642
local terms energy: -74.769412
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: 2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -109.013352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.013352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.013352 (E_RNA)
where:
Base-Base interactions energy: -36.929
where: short stacking energy: -31.968
Base-Backbone interact. energy: 1.245
local terms energy: -73.330304
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -9.090
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: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -411.140406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.140406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.140406 (E_RNA)
where:
Base-Base interactions energy: -291.698
where: short stacking energy: -114.035
Base-Backbone interact. energy: -2.931
local terms energy: -116.511825
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -26.193
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -26.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -391.126037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.126037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.126037 (E_RNA)
where:
Base-Base interactions energy: -283.025
where: short stacking energy: -113.492
Base-Backbone interact. energy: -0.466
local terms energy: -107.635430
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -15.461
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: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -365.738577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.738577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.738577 (E_RNA)
where:
Base-Base interactions energy: -239.114
where: short stacking energy: -107.263
Base-Backbone interact. energy: -0.044
local terms energy: -126.580387
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -36.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -291.625256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.625256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.625256 (E_RNA)
where:
Base-Base interactions energy: -189.513
where: short stacking energy: -80.799
Base-Backbone interact. energy: -0.272
local terms energy: -101.840346
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -26.689
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -23.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -263.082345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.082345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.082345 (E_RNA)
where:
Base-Base interactions energy: -166.266
where: short stacking energy: -79.764
Base-Backbone interact. energy: -0.076
local terms energy: -96.740077
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -270.661376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.661376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.661376 (E_RNA)
where:
Base-Base interactions energy: -165.082
where: short stacking energy: -87.797
Base-Backbone interact. energy: -0.124
local terms energy: -105.454636
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -14.357
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: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -263.738253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.738253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.738253 (E_RNA)
where:
Base-Base interactions energy: -163.894
where: short stacking energy: -73.870
Base-Backbone interact. energy: -0.759
local terms energy: -99.085704
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -245.315912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.315912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.315912 (E_RNA)
where:
Base-Base interactions energy: -150.919
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.438
local terms energy: -93.959538
where:
bonds (distance) C4'-P energy: -24.883
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -130.745219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.745219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.745219 (E_RNA)
where:
Base-Base interactions energy: -54.683
where: short stacking energy: -35.799
Base-Backbone interact. energy: -0.564
local terms energy: -75.497920
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -117.693991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.693991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.693991 (E_RNA)
where:
Base-Base interactions energy: -40.349
where: short stacking energy: -40.349
Base-Backbone interact. energy: -0.252
local terms energy: -77.092498
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -6.434
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: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -412.571391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.571391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.571391 (E_RNA)
where:
Base-Base interactions energy: -281.048
where: short stacking energy: -99.580
Base-Backbone interact. energy: -0.595
local terms energy: -130.928008
where:
bonds (distance) C4'-P energy: -26.747
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -20.750
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: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -397.961859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.961859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.961859 (E_RNA)
where:
Base-Base interactions energy: -273.420
where: short stacking energy: -106.260
Base-Backbone interact. energy: -1.645
local terms energy: -122.896901
where:
bonds (distance) C4'-P energy: -26.608
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -31.023
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: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -367.426831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.426831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.426831 (E_RNA)
where:
Base-Base interactions energy: -236.176
where: short stacking energy: -113.501
Base-Backbone interact. energy: -0.299
local terms energy: -130.952704
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -26.087
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -37.484
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: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -316.390466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.390466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.390466 (E_RNA)
where:
Base-Base interactions energy: -205.837
where: short stacking energy: -105.840
Base-Backbone interact. energy: -0.764
local terms energy: -109.789452
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -27.098
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: 494
Temperature: 1.100000
Total energy: -273.351199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.351199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.351199 (E_RNA)
where:
Base-Base interactions energy: -177.572
where: short stacking energy: -71.490
Base-Backbone interact. energy: -0.349
local terms energy: -95.430313
where:
bonds (distance) C4'-P energy: -23.435
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -9.752
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: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -277.752289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.752289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.752289 (E_RNA)
where:
Base-Base interactions energy: -180.897
where: short stacking energy: -79.872
Base-Backbone interact. energy: -0.083
local terms energy: -96.772916
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -253.085213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.085213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.085213 (E_RNA)
where:
Base-Base interactions energy: -150.606
where: short stacking energy: -73.139
Base-Backbone interact. energy: 1.136
local terms energy: -103.615041
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -262.906895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.906895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.906895 (E_RNA)
where:
Base-Base interactions energy: -177.478
where: short stacking energy: -77.160
Base-Backbone interact. energy: -0.815
local terms energy: -84.613215
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -125.991664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.991664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.991664 (E_RNA)
where:
Base-Base interactions energy: -44.001
where: short stacking energy: -35.279
Base-Backbone interact. energy: 1.506
local terms energy: -83.496763
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -9.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -123.264943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.264943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.264943 (E_RNA)
where:
Base-Base interactions energy: -41.976
where: short stacking energy: -21.879
Base-Backbone interact. energy: -0.372
local terms energy: -80.917049
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: 1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -406.182089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.182089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.182089 (E_RNA)
where:
Base-Base interactions energy: -282.341
where: short stacking energy: -112.129
Base-Backbone interact. energy: -0.472
local terms energy: -123.369126
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -36.379
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: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -395.998002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.998002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.998002 (E_RNA)
where:
Base-Base interactions energy: -285.605
where: short stacking energy: -107.754
Base-Backbone interact. energy: -1.528
local terms energy: -108.865296
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -16.806
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: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -336.907195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.907195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.907195 (E_RNA)
where:
Base-Base interactions energy: -219.881
where: short stacking energy: -94.890
Base-Backbone interact. energy: 1.180
local terms energy: -118.206602
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -30.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -295.561038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.561038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.561038 (E_RNA)
where:
Base-Base interactions energy: -206.931
where: short stacking energy: -89.404
Base-Backbone interact. energy: -0.092
local terms energy: -88.537854
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -17.755
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: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -279.680844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.680844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.680844 (E_RNA)
where:
Base-Base interactions energy: -185.950
where: short stacking energy: -87.583
Base-Backbone interact. energy: 1.011
local terms energy: -94.742094
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -20.603
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -272.045258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.045258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.045258 (E_RNA)
where:
Base-Base interactions energy: -171.170
where: short stacking energy: -84.428
Base-Backbone interact. energy: -0.235
local terms energy: -100.640138
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -25.723
flat angles P-C4'-P energy: -13.835
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: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -262.283789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.283789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.283789 (E_RNA)
where:
Base-Base interactions energy: -166.578
where: short stacking energy: -65.055
Base-Backbone interact. energy: -0.277
local terms energy: -95.428507
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -27.404
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -264.139167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.139167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.139167 (E_RNA)
where:
Base-Base interactions energy: -164.950
where: short stacking energy: -80.176
Base-Backbone interact. energy: 0.124
local terms energy: -99.313013
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -117.432721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.432721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.432721 (E_RNA)
where:
Base-Base interactions energy: -35.664
where: short stacking energy: -26.222
Base-Backbone interact. energy: 1.048
local terms energy: -82.816800
where:
bonds (distance) C4'-P energy: -25.129
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: 2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -109.959695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.959695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.959695 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -29.321
Base-Backbone interact. energy: -1.611
local terms energy: -75.011245
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: 4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -402.149247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.149247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.149247 (E_RNA)
where:
Base-Base interactions energy: -279.616
where: short stacking energy: -110.024
Base-Backbone interact. energy: 0.128
local terms energy: -122.660902
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -24.050
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -33.589
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: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -397.081785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.081785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.081785 (E_RNA)
where:
Base-Base interactions energy: -272.649
where: short stacking energy: -112.904
Base-Backbone interact. energy: -2.685
local terms energy: -121.747296
where:
bonds (distance) C4'-P energy: -24.447
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -28.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -352.902560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.902560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.902560 (E_RNA)
where:
Base-Base interactions energy: -237.594
where: short stacking energy: -123.715
Base-Backbone interact. energy: -0.371
local terms energy: -114.937548
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -34.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -284.151325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.151325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.151325 (E_RNA)
where:
Base-Base interactions energy: -186.177
where: short stacking energy: -76.890
Base-Backbone interact. energy: 1.114
local terms energy: -99.088643
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -262.462712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.462712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.462712 (E_RNA)
where:
Base-Base interactions energy: -160.643
where: short stacking energy: -69.634
Base-Backbone interact. energy: -0.948
local terms energy: -100.871366
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -25.320
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -257.909764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.909764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.909764 (E_RNA)
where:
Base-Base interactions energy: -166.515
where: short stacking energy: -72.460
Base-Backbone interact. energy: 1.528
local terms energy: -92.923035
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -261.739344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.739344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.739344 (E_RNA)
where:
Base-Base interactions energy: -168.029
where: short stacking energy: -77.897
Base-Backbone interact. energy: -0.437
local terms energy: -93.272989
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -26.173
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -253.948201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.948201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.948201 (E_RNA)
where:
Base-Base interactions energy: -160.496
where: short stacking energy: -71.181
Base-Backbone interact. energy: -0.383
local terms energy: -93.069406
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -138.584803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.584803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.584803 (E_RNA)
where:
Base-Base interactions energy: -46.535
where: short stacking energy: -45.209
Base-Backbone interact. energy: -0.106
local terms energy: -91.944248
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -121.886068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.886068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.886068 (E_RNA)
where:
Base-Base interactions energy: -45.158
where: short stacking energy: -33.002
Base-Backbone interact. energy: 0.511
local terms energy: -77.239674
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -14.750
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: 497
Temperature: 0.900000
Total energy: -390.129482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.129482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.129482 (E_RNA)
where:
Base-Base interactions energy: -277.924
where: short stacking energy: -113.442
Base-Backbone interact. energy: -1.291
local terms energy: -110.914861
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -32.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -382.342969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.342969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.342969 (E_RNA)
where:
Base-Base interactions energy: -274.732
where: short stacking energy: -107.449
Base-Backbone interact. energy: -1.676
local terms energy: -105.935232
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -26.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -357.568276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.568276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.568276 (E_RNA)
where:
Base-Base interactions energy: -222.376
where: short stacking energy: -102.638
Base-Backbone interact. energy: -0.736
local terms energy: -134.455823
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -35.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -285.994238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.994238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.994238 (E_RNA)
where:
Base-Base interactions energy: -177.408
where: short stacking energy: -84.767
Base-Backbone interact. energy: -0.337
local terms energy: -108.249559
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -275.629213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.629213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.629213 (E_RNA)
where:
Base-Base interactions energy: -163.365
where: short stacking energy: -73.538
Base-Backbone interact. energy: -0.091
local terms energy: -112.173416
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -266.882340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.882340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.882340 (E_RNA)
where:
Base-Base interactions energy: -166.065
where: short stacking energy: -79.923
Base-Backbone interact. energy: -0.199
local terms energy: -100.618205
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -255.176885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.176885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.176885 (E_RNA)
where:
Base-Base interactions energy: -164.134
where: short stacking energy: -80.482
Base-Backbone interact. energy: -0.164
local terms energy: -90.878380
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -21.220
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: 8, replica: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -250.516464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.516464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.516464 (E_RNA)
where:
Base-Base interactions energy: -164.392
where: short stacking energy: -72.932
Base-Backbone interact. energy: -0.479
local terms energy: -85.645341
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -25.504
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -11.636
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: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -127.486514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.486514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.486514 (E_RNA)
where:
Base-Base interactions energy: -45.242
where: short stacking energy: -44.518
Base-Backbone interact. energy: -0.119
local terms energy: -82.125576
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -121.222290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.222290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.222290 (E_RNA)
where:
Base-Base interactions energy: -47.455
where: short stacking energy: -28.387
Base-Backbone interact. energy: -1.187
local terms energy: -72.580079
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: 3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -403.856583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.856583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.856583 (E_RNA)
where:
Base-Base interactions energy: -287.613
where: short stacking energy: -112.087
Base-Backbone interact. energy: -1.650
local terms energy: -114.594315
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -27.328
flat angles P-C4'-P energy: -11.729
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: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -383.664423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.664423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.664423 (E_RNA)
where:
Base-Base interactions energy: -258.187
where: short stacking energy: -100.935
Base-Backbone interact. energy: -0.075
local terms energy: -125.402284
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -27.630
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -30.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -349.006176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.006176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.006176 (E_RNA)
where:
Base-Base interactions energy: -230.010
where: short stacking energy: -92.512
Base-Backbone interact. energy: -0.529
local terms energy: -118.467542
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -34.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -293.598490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.598490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.598490 (E_RNA)
where:
Base-Base interactions energy: -187.196
where: short stacking energy: -85.978
Base-Backbone interact. energy: -0.133
local terms energy: -106.268924
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -28.044
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -298.398872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.398872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.398872 (E_RNA)
where:
Base-Base interactions energy: -188.074
where: short stacking energy: -90.205
Base-Backbone interact. energy: -0.093
local terms energy: -110.231864
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -26.034
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: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -266.936402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.936402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.936402 (E_RNA)
where:
Base-Base interactions energy: -168.613
where: short stacking energy: -79.345
Base-Backbone interact. energy: 0.632
local terms energy: -98.956151
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -269.251791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.251791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.251791 (E_RNA)
where:
Base-Base interactions energy: -176.484
where: short stacking energy: -73.649
Base-Backbone interact. energy: 0.328
local terms energy: -93.095740
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -17.098
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: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -239.784952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.784952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.784952 (E_RNA)
where:
Base-Base interactions energy: -156.056
where: short stacking energy: -66.079
Base-Backbone interact. energy: 0.744
local terms energy: -84.473419
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -111.995765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.995765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.995765 (E_RNA)
where:
Base-Base interactions energy: -39.180
where: short stacking energy: -31.531
Base-Backbone interact. energy: -0.286
local terms energy: -72.529407
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -0.478
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: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -120.727420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.727420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.727420 (E_RNA)
where:
Base-Base interactions energy: -42.707
where: short stacking energy: -42.707
Base-Backbone interact. energy: -0.416
local terms energy: -77.604340
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -410.360603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.360603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.360603 (E_RNA)
where:
Base-Base interactions energy: -292.950
where: short stacking energy: -109.864
Base-Backbone interact. energy: 0.485
local terms energy: -117.895172
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -28.491
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -32.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -393.132945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.132945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.132945 (E_RNA)
where:
Base-Base interactions energy: -277.651
where: short stacking energy: -111.302
Base-Backbone interact. energy: -0.350
local terms energy: -115.131740
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -30.248
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: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -349.821848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.821848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.821848 (E_RNA)
where:
Base-Base interactions energy: -224.833
where: short stacking energy: -108.259
Base-Backbone interact. energy: -0.230
local terms energy: -124.759597
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -32.899
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: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -288.409543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.409543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.409543 (E_RNA)
where:
Base-Base interactions energy: -179.355
where: short stacking energy: -95.559
Base-Backbone interact. energy: -0.079
local terms energy: -108.975354
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -25.510
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -27.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -285.203291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.203291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.203291 (E_RNA)
where:
Base-Base interactions energy: -180.032
where: short stacking energy: -90.896
Base-Backbone interact. energy: -1.797
local terms energy: -103.373903
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -25.419
flat angles C4'-P-C4' energy: -26.041
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -272.702405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.702405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.702405 (E_RNA)
where:
Base-Base interactions energy: -163.608
where: short stacking energy: -64.974
Base-Backbone interact. energy: -1.269
local terms energy: -107.825420
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -27.232
flat angles P-C4'-P energy: -21.212
tors. eta vs tors. theta energy: -13.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -222.346431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.346431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.346431 (E_RNA)
where:
Base-Base interactions energy: -143.431
where: short stacking energy: -54.335
Base-Backbone interact. energy: -0.792
local terms energy: -78.124022
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -4.959
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: 499
Temperature: 1.250000
Total energy: -232.875045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.875045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.875045 (E_RNA)
where:
Base-Base interactions energy: -138.560
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.158
local terms energy: -94.156403
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -127.746586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.746586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.746586 (E_RNA)
where:
Base-Base interactions energy: -54.317
where: short stacking energy: -43.070
Base-Backbone interact. energy: 1.409
local terms energy: -74.838537
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -101.993299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.993299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.993299 (E_RNA)
where:
Base-Base interactions energy: -31.725
where: short stacking energy: -24.307
Base-Backbone interact. energy: 0.978
local terms energy: -71.246322
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: 1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -401.801755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.801755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.801755 (E_RNA)
where:
Base-Base interactions energy: -276.326
where: short stacking energy: -111.297
Base-Backbone interact. energy: 0.602
local terms energy: -126.077307
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -26.826
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -35.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -408.641810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.641810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.641810 (E_RNA)
where:
Base-Base interactions energy: -285.678
where: short stacking energy: -100.415
Base-Backbone interact. energy: 0.174
local terms energy: -123.137323
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -32.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -339.365139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.365139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.365139 (E_RNA)
where:
Base-Base interactions energy: -221.234
where: short stacking energy: -108.144
Base-Backbone interact. energy: -0.130
local terms energy: -118.001160
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -30.176
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: 6
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -288.626881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.626881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.626881 (E_RNA)
where:
Base-Base interactions energy: -183.675
where: short stacking energy: -65.506
Base-Backbone interact. energy: 0.096
local terms energy: -105.048488
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -16.845
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: 3
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -292.915584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.915584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.915584 (E_RNA)
where:
Base-Base interactions energy: -191.596
where: short stacking energy: -93.673
Base-Backbone interact. energy: -0.648
local terms energy: -100.671316
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -22.930
flat angles P-C4'-P energy: -9.497
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: 6, replica: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -281.810319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.810319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.810319 (E_RNA)
where:
Base-Base interactions energy: -181.137
where: short stacking energy: -83.148
Base-Backbone interact. energy: -0.727
local terms energy: -99.946653
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -25.352
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -257.915587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.915587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.915587 (E_RNA)
where:
Base-Base interactions energy: -166.240
where: short stacking energy: -69.179
Base-Backbone interact. energy: 0.239
local terms energy: -91.914824
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -14.827
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: 4
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -201.273589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.273589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.273589 (E_RNA)
where:
Base-Base interactions energy: -108.876
where: short stacking energy: -50.106
Base-Backbone interact. energy: -0.320
local terms energy: -92.077371
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -11.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -121.736772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.736772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.736772 (E_RNA)
where:
Base-Base interactions energy: -32.125
where: short stacking energy: -18.503
Base-Backbone interact. energy: -0.725
local terms energy: -88.886554
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -113.544146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.544146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.544146 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -27.821
Base-Backbone interact. energy: 0.130
local terms energy: -72.186344
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -403.186217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.186217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.186217 (E_RNA)
where:
Base-Base interactions energy: -285.992
where: short stacking energy: -113.965
Base-Backbone interact. energy: -0.526
local terms energy: -116.668920
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -27.791
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: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -399.584885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.584885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.584885 (E_RNA)
where:
Base-Base interactions energy: -274.331
where: short stacking energy: -98.852
Base-Backbone interact. energy: -0.386
local terms energy: -124.867880
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -29.190
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -26.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -339.619941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.619941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.619941 (E_RNA)
where:
Base-Base interactions energy: -226.268
where: short stacking energy: -110.627
Base-Backbone interact. energy: 0.727
local terms energy: -114.079135
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -15.102
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: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -323.477736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.477736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.477736 (E_RNA)
where:
Base-Base interactions energy: -207.011
where: short stacking energy: -106.287
Base-Backbone interact. energy: -0.145
local terms energy: -116.321446
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -25.425
flat angles C4'-P-C4' energy: -28.177
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -30.384
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: 5, replica: 6
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -293.300667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.300667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.300667 (E_RNA)
where:
Base-Base interactions energy: -185.509
where: short stacking energy: -87.889
Base-Backbone interact. energy: -0.807
local terms energy: -106.984809
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -22.520
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -25.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -268.987140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.987140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.987140 (E_RNA)
where:
Base-Base interactions energy: -167.356
where: short stacking energy: -80.706
Base-Backbone interact. energy: 1.327
local terms energy: -102.958605
where:
bonds (distance) C4'-P energy: -23.467
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -261.808790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.808790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.808790 (E_RNA)
where:
Base-Base interactions energy: -159.584
where: short stacking energy: -69.005
Base-Backbone interact. energy: -0.337
local terms energy: -101.888180
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -242.228691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.228691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.228691 (E_RNA)
where:
Base-Base interactions energy: -153.189
where: short stacking energy: -73.438
Base-Backbone interact. energy: -0.229
local terms energy: -88.810958
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -121.754136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.754136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.754136 (E_RNA)
where:
Base-Base interactions energy: -38.763
where: short stacking energy: -38.763
Base-Backbone interact. energy: 1.855
local terms energy: -84.846681
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -11.787
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: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -114.418799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.418799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.418799 (E_RNA)
where:
Base-Base interactions energy: -31.878
where: short stacking energy: -29.556
Base-Backbone interact. energy: -0.519
local terms energy: -82.021247
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -2.383
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)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 33313385
moves confirmed later: 39546699
all moves confirmed: 72860084
percent of confirmed moves: 9.107511
current total energy: -351.392302
recalc. total energy: -351.392302
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 35691119
moves confirmed later: 42728713
all moves confirmed: 78419832
percent of confirmed moves: 9.802479
current total energy: -344.141675
recalc. total energy: -344.141675
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 21813065
moves confirmed later: 24173828
all moves confirmed: 45986893
percent of confirmed moves: 5.748362
current total energy: -303.471131
recalc. total energy: -303.471131
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 29930520
moves confirmed later: 34996022
all moves confirmed: 64926542
percent of confirmed moves: 8.115818
current total energy: -249.974083
recalc. total energy: -249.974083
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 27868709
moves confirmed later: 32430441
all moves confirmed: 60299150
percent of confirmed moves: 7.537394
current total energy: -239.322722
recalc. total energy: -239.322722
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 31015486
moves confirmed later: 36534353
all moves confirmed: 67549839
percent of confirmed moves: 8.443730
current total energy: -212.419264
recalc. total energy: -212.419264
replica 7 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 28504528
moves confirmed later: 33223612
all moves confirmed: 61728140
percent of confirmed moves: 7.716018
current total energy: -179.920250
recalc. total energy: -179.920250
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 34005900
moves confirmed later: 40380271
all moves confirmed: 74386171
percent of confirmed moves: 9.298271
current total energy: -158.735866
recalc. total energy: -158.735866
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 34082419
moves confirmed later: 40559046
all moves confirmed: 74641465
percent of confirmed moves: 9.330183
current total energy: -58.779384
recalc. total energy: -58.779384
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 23443909
moves confirmed later: 26369004
all moves confirmed: 49812913
percent of confirmed moves: 6.226614
current total energy: -77.484304
recalc. total energy: -77.484304
out arg RESULTS//1/2LIV-e1fdd48d_01
Time of doing 8000000 iterations: 5624.289 seconds